Molecule

Hydrochlorothiazide

AlkaPlorer ID: AK099948

Synonym: None

IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Structure

SMILES: NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O

InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

Reference

PubChem CID: 3639

CAS: 125727-50-6

SuperNatural Ⅲ: SN0179795

NPASS: NPC321053

COCONUT: CNP0212821

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Rhus chinensis	Rhus	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 297.74500000000006

TPSA？: 118.36

MolLogP？: -0.3512999999999996

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	24.87	%	10.6019/CHEMBL4513141
Anopheles gambiae	AGAP002992-PA	Ki	31.5	nM	10.1016/j.bmc.2015.03.081
Astrosclera willeyana	Astrosclerin-3	Ki	394.0	nM	10.1016/j.bmc.2012.01.007
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
Candida albicans	Candida albicans	Inhibition	2.05	%	10.6019/CHEMBL4513141
Canis lupus familiaris	Beta-2 adrenergic receptor	ID50	nan	mg.kg-1	10.1021/jm00151a017
Canis lupus familiaris	Canis familiaris	Activity	3.0	ml	10.1021/jm00203a006
Canis lupus familiaris	Canis familiaris	Activity	3.0	ml	10.1021/jm00221a010
Canis lupus familiaris	Canis familiaris	Activity	7.0	None	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	11.0	u equiv min-1	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	18.0	None	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	27.0	u equiv min-1	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	33.0	milliequivalent	10.1021/jm00203a006
Canis lupus familiaris	Canis familiaris	Activity	33.0	uEq	10.1021/jm00221a010
Canis lupus familiaris	Canis familiaris	Activity	50.0	None	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	156.0	milliequivalent	10.1021/jm00203a006
Canis lupus familiaris	Canis familiaris	Activity	156.0	uEq	10.1021/jm00221a010
Canis lupus familiaris	Canis familiaris	Activity	166.0	milliequivalent	10.1021/jm00203a006
Canis lupus familiaris	Canis familiaris	Activity	166.0	uEq	10.1021/jm00221a010
Canis lupus familiaris	Canis familiaris	Activity	193.0	u equiv min-1	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	Activity	nan	None	10.1021/jm00168a012
Canis lupus familiaris	Canis familiaris	Decrease	0.0	%	10.1021/jm00168a012
Canis lupus familiaris	Canis familiaris	Diuretic activity	1.98	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	4.8	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	5.4	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	7.1	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	7.4	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	8.57	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	16.4	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	18.8	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	19.6	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	22.0	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	22.9	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	26.3	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic activity	250.0	None	10.1021/jm00186a024
Canis lupus familiaris	Canis familiaris	Diuretic effects	33.0	None	10.1021/jm00133a024
Canis lupus familiaris	Canis familiaris	Diuretic effects	156.0	None	10.1021/jm00133a024
Canis lupus familiaris	Canis familiaris	Diuretic effects	166.0	None	10.1021/jm00133a024
Canis lupus familiaris	Canis familiaris	Excretion Cl-	15.6	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Excretion Cl-	17.3	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Excretion K+	3.3	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Excretion K+	3.4	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Excretion Na+	13.7	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Excretion Na+	16.1	m equiv	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Na+ excretion	3.5	m equiv kg-1	10.1021/jm00374a014
Canis lupus familiaris	Canis familiaris	Oral activity	5.0	None	10.1021/jm00139a019
Canis lupus familiaris	Canis familiaris	Oral activity	12.0	None	10.1021/jm00139a019
Canis lupus familiaris	Canis familiaris	Oral activity	15.0	None	10.1021/jm00139a019
Canis lupus familiaris	Canis familiaris	Ratio	4.4	None	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Ratio	9.6	None	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Score	1.0	None	10.1021/jm00141a009
Canis lupus familiaris	Canis familiaris	Score	1.0	None	10.1021/jm00358a023
Canis lupus familiaris	Canis familiaris	Urine volume	1.0	ml min-1	10.1021/jm00139a019
Canis lupus familiaris	Canis familiaris	Urine volume	3.0	ml min-1	10.1021/jm00373a005
Canis lupus familiaris	Canis familiaris	V	76.0	ml	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	V	85.0	ml	10.1021/jm00048a005
Canis lupus familiaris	Canis familiaris	Volume of urine	25.0	None	10.1021/jm00373a005
Canis lupus familiaris	MDCK	logPapp	-6.28	None	10.1021/jm901846t
Cavia porcellus	Leukotriene C4 synthase	IC50	nan	None	None
Cavia porcellus	Leukotriene C4 synthase	Ki	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	IC50	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	Ki	nan	None	None
Cryptococcus neoformans	Cryptococcus neoformans	Inhibition	-7.59	%	10.6019/CHEMBL4513141
Cryptosporidium parvum	Cryptosporidium parvum	IC50	nan	None	10.1016/j.bmc.2010.01.068
Danio rerio	Danio rerio	Activity	33.0	%	10.1021/acs.jnatprod.9b00857
Danio rerio	Danio rerio	Activity	53.0	%	10.1021/acs.jnatprod.9b00857
Danio rerio	Danio rerio	Activity	56.0	%	10.1021/acs.jnatprod.9b00857
Danio rerio	Danio rerio	Activity	60.0	%	10.1021/acs.jnatprod.9b00857
Entamoeba histolytica	Entamoeba histolytica	IC50	nan	None	10.1016/j.bmc.2010.01.068
Escherichia coli	Escherichia coli	Inhibition	-0.12	%	10.6019/CHEMBL4513141
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	ACHN	GI50	100000.0	nM	None
Homo sapiens	Adenosine A1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A1 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A1 receptor	Ki	nan	None	None
Homo sapiens	Adenosine A2a receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A2a receptor	IC50	nan	None	None
Homo sapiens	Adenosine A2a receptor	Ki	nan	None	None
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A3 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A3 receptor	Ki	nan	None	None
Homo sapiens	Alpha-1a adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1d adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-1d adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2b adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2c adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	Ki	nan	None	None
Homo sapiens	Angiotensin-converting enzyme	ED50	100.0	mg.kg-1	10.1021/jm00168a012
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	IC50	nan	None	None
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	Ki	nan	None	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	32629.4	nM	None
Homo sapiens	Beta-1 adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-1 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-1 adrenergic receptor	ID50	nan	mg.kg-1	10.1021/jm00151a017
Homo sapiens	Beta-1 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-2 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-3 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Bile salt export pump	AC50	300000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bile salt export pump	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Bradykinin B1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bradykinin B2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bradykinin B2 receptor	IC50	nan	None	None
Homo sapiens	Bradykinin B2 receptor	Ki	nan	None	None
Homo sapiens	Caco-2	logPapp	-6.06	None	10.1016/j.bmc.2009.08.022
Homo sapiens	Caco-2	logPapp	-5.39	None	10.1016/j.bmc.2011.03.011
Homo sapiens	Caco-2	permeability	nan	None	10.1016/j.bmc.2011.03.011
Homo sapiens	CAKI-1	GI50	100000.0	nM	None
Homo sapiens	Calcitonin receptor	IC50	nan	None	None
Homo sapiens	Calcitonin receptor	Ki	nan	None	None
Homo sapiens	Canalicular multispecific organic anion transporter 1	Activity	94.0	%	10.1021/jm7015683
Homo sapiens	Canalicular multispecific organic anion transporter 1	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Canalicular multispecific organic anion transporter 2	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Cannabinoid CB1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cannabinoid CB1 receptor	IC50	nan	None	None
Homo sapiens	Cannabinoid CB1 receptor	Ki	nan	None	None
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2011.02.015
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2011.06.038
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2012.01.007
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2012.07.024
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2014.04.006
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2014.07.048
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2014.12.009
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2015.02.045
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2015.03.081
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2016.01.037
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmc.2017.05.007
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmcl.2015.10.074
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmcl.2015.11.104
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmcl.2016.02.032
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmcl.2016.07.060
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1016/j.bmcl.2016.12.035
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1021/jm301611m
Homo sapiens	Carbonic anhydrase I	Ki	328.0	nM	10.1021/jm4000616
Homo sapiens	Carbonic anhydrase II	IC50	181970085860998.25	nM	10.1021/jm011112j
Homo sapiens	Carbonic anhydrase II	IC50	nan	None	None
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2011.02.015
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2011.06.038
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2012.01.007
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2012.07.024
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2014.04.006
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2014.07.048
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2014.12.009
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2015.02.045
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2015.03.081
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2016.01.037
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmc.2017.05.007
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2013.11.021
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2015.06.079
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2015.10.074
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2015.11.104
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2016.01.023
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2016.02.032
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2016.07.060
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1016/j.bmcl.2016.12.035
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1021/jm301611m
Homo sapiens	Carbonic anhydrase II	Ki	290.0	nM	10.1021/jm4000616
Homo sapiens	Carbonic anhydrase II	Ki	nan	None	None
Homo sapiens	Caspase-1	IC50	nan	None	None
Homo sapiens	Caspase-1	Ki	nan	None	None
Homo sapiens	Cathepsin G	IC50	nan	None	None
Homo sapiens	Cathepsin G	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	Ki	nan	None	None
Homo sapiens	CCRF-CEM	GI50	100000.0	nM	None
Homo sapiens	Cerebroside-sulfatase	Potency	151.0	nM	None
Homo sapiens	Cholecystokinin A receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cholecystokinin A receptor	IC50	nan	None	None
Homo sapiens	Cholecystokinin A receptor	Ki	nan	None	None
Homo sapiens	Cholecystokinin B receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Chromobox protein homolog 1	Potency	39810.7	nM	None
Homo sapiens	Chromobox protein homolog 1	Potency	89125.1	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	Corticotropin releasing factor receptor 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Corticotropin releasing factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-1	Ki	nan	None	None
Homo sapiens	Cyclooxygenase-2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-2	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-2	Ki	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	IC50	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 1A2	IC50	nan	None	None
Homo sapiens	Cytochrome P450 1A2	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2A6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2A6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Potency	7943.3	nM	None
Homo sapiens	Cytochrome P450 2C9	Potency	31622.8	nM	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2E1	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2E1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2J2	IC50	50000.0	nM	10.1124/dmd.112.048264
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	IC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	Delta opioid receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Delta opioid receptor	IC50	nan	None	None
Homo sapiens	Delta opioid receptor	Ki	nan	None	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	3548.1	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	39810.7	nM	None
Homo sapiens	Dopamine D1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D1 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D2 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D2 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D2 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D3 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D3 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D4 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D4 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D4 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D5 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	IC50	nan	None	None
Homo sapiens	Dopamine transporter	Ki	nan	None	None
Homo sapiens	DU-145	GI50	100000.0	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	Endothelin receptor ET-A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Endothelin receptor ET-A	IC50	nan	None	None
Homo sapiens	Endothelin receptor ET-A	Ki	nan	None	None
Homo sapiens	Endothelin receptor ET-B	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	nan	None	None
Homo sapiens	Epidermal growth factor receptor erbB1	Ki	nan	None	None
Homo sapiens	Equilibrative nucleoside transporter 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	IC50	nan	None	None
Homo sapiens	Estrogen receptor alpha	Ki	nan	None	None
Homo sapiens	Estrogen receptor beta	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor beta	IC50	nan	None	None
Homo sapiens	Estrogen receptor beta	Ki	nan	None	None
Homo sapiens	GABA-B receptor 1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Gastric inhibitory polypeptide receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Geminin	Potency	51.7	nM	None
Homo sapiens	Ghrelin receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucagon receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucocorticoid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucocorticoid receptor	IC50	nan	None	None
Homo sapiens	Glucocorticoid receptor	Ki	nan	None	None
Homo sapiens	Glucocorticoid receptor	Potency	50118.7	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	10000.0	nM	None
Homo sapiens	HCC 2998	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	100000.0	nM	None
Homo sapiens	HCT-15	GI50	100000.0	nM	None
Homo sapiens	HEK293	Potency	7304.8	nM	None
Homo sapiens	HERG	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	HERG	IC50	nan	None	None
Homo sapiens	HERG	Ki	nan	None	None
Homo sapiens	Histamine H1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H1 receptor	IC50	nan	None	None
Homo sapiens	Histamine H1 receptor	Ki	nan	None	None
Homo sapiens	Histamine H2 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H2 receptor	IC50	nan	None	None
Homo sapiens	Histamine H2 receptor	Ki	nan	None	None
Homo sapiens	Histamine H3 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase 6	Inhibition	-9.26	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-4.44	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	316.2	nM	None
Homo sapiens	HL-60	GI50	100000.0	nM	None
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
Homo sapiens	Homo sapiens	% absorbed	67.0	%	10.1021/jm001020e
Homo sapiens	Homo sapiens	Activity	0.69	%	10.1016/j.ejmech.2009.11.034
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	2.0	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	F	55.0	%	10.1021/jm901846t
Homo sapiens	Homo sapiens	F	71.0	%	10.1016/j.bmc.2007.08.060
Homo sapiens	Homo sapiens	Fa	55.0	%	10.1021/jm991156g
Homo sapiens	Homo sapiens	Peff	0.04	None	10.1021/jm9810102
Homo sapiens	Homo sapiens	T1/2	5.6	hr	None
Homo sapiens	Homo sapiens	Tmax	2.0	hr	None
Homo sapiens	Homo sapiens	Vdss	0.83	L.kg-1	10.1016/j.ejmech.2009.06.004
Homo sapiens	HOP-62	GI50	100000.0	nM	None
Homo sapiens	HOP-92	GI50	100000.0	nM	None
Homo sapiens	Hs-578T	GI50	100000.0	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	Interleukin-8 receptor A	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor A	Ki	nan	None	None
Homo sapiens	Interleukin-8 receptor B	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor B	Ki	nan	None	None
Homo sapiens	K562	GI50	100000.0	nM	None
Homo sapiens	Kappa opioid receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Kappa opioid receptor	IC50	nan	None	None
Homo sapiens	Kappa opioid receptor	Ki	nan	None	None
Homo sapiens	KM12	GI50	100000.0	nM	None
Homo sapiens	Leukocyte common antigen	IC50	nan	None	None
Homo sapiens	Leukocyte common antigen	Ki	nan	None	None
Homo sapiens	Leukocyte elastase	IC50	nan	None	None
Homo sapiens	Leukocyte elastase	Ki	nan	None	None
Homo sapiens	LOX IMVI	GI50	100000.0	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	100000.0	nM	None
Homo sapiens	MAP kinase ERK1	IC50	nan	None	None
Homo sapiens	MAP kinase ERK1	Ki	nan	None	None
Homo sapiens	MAP kinase ERK2	IC50	nan	None	None
Homo sapiens	MAP kinase ERK2	Ki	nan	None	None
Homo sapiens	MAP kinase p38 alpha	IC50	nan	None	None
Homo sapiens	MAP kinase p38 alpha	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	Ki	nan	None	None
Homo sapiens	MCF7	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-231	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-435	GI50	100000.0	nM	None
Homo sapiens	MDA-N	GI50	100000.0	nM	None
Homo sapiens	Melanocortin receptor 3	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Melanocortin receptor 3	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 3	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 4	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Melanocortin receptor 4	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 4	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 5	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 5	Ki	nan	None	None
Homo sapiens	MOLT-4	GI50	100000.0	nM	None
Homo sapiens	Monoamine oxidase A	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Monoamine oxidase A	IC50	nan	None	None
Homo sapiens	Monoamine oxidase A	Ki	nan	None	None
Homo sapiens	Motilin receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Multidrug resistance-associated protein 4	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Mu opioid receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	IC50	nan	None	None
Homo sapiens	Mu opioid receptor	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M3	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M4	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M5	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	Ki	nan	None	None
Homo sapiens	NCI/ADR-RES	GI50	100000.0	nM	None
Homo sapiens	NCI-H226	GI50	100000.0	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	100000.0	nM	None
Homo sapiens	NCI-H522	GI50	100000.0	nM	None
Homo sapiens	Neurokinin 1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neurokinin 1 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 1 receptor	Ki	nan	None	None
Homo sapiens	Neurokinin 2 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neurokinin 2 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 2 receptor	Ki	nan	None	None
Homo sapiens	Neuronal acetylcholine receptor protein alpha-4 subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 1	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 1	Ki	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 2	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	Ki	nan	None	None
Homo sapiens	Neurotensin receptor 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	IC50	nan	None	None
Homo sapiens	Norepinephrine transporter	Ki	nan	None	None
Homo sapiens	OVCAR-3	GI50	100000.0	nM	None
Homo sapiens	OVCAR-4	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	100000.0	nM	None
Homo sapiens	PC-3	GI50	100000.0	nM	None
Homo sapiens	Peripheral myelin protein 22	Potency	95283.4	nM	None
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4D	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 5A	IC50	nan	None	None
Homo sapiens	Phosphodiesterase 5A	Ki	nan	None	None
Homo sapiens	Phosphodiesterase 6A	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Platelet activating factor receptor	IC50	nan	None	None
Homo sapiens	Platelet activating factor receptor	Ki	nan	None	None
Homo sapiens	Prelamin-A/C	Potency	0.8	nM	None
Homo sapiens	Prelamin-A/C	Potency	4.5	nM	None
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Protein kinase C alpha	IC50	nan	None	None
Homo sapiens	Protein kinase C alpha	Ki	nan	None	None
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	IC50	nan	None	None
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	Ki	nan	None	None
Homo sapiens	RPMI-8226	GI50	100000.0	nM	None
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	IC50	nan	None	None
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	Ki	nan	None	None
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	6914.3	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2c (5-HT2c) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 3a (5-HT3a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 5a (5-HT5a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 6 (5-HT6) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 6 (5-HT6) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 6 (5-HT6) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 7 (5-HT7) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	IC50	nan	None	None
Homo sapiens	Serotonin transporter	Ki	nan	None	None
Homo sapiens	Serum albumin	Ki	2290867652767.77	nM	10.1021/jm049227l
Homo sapiens	Serum albumin	Log K'	0.42	None	10.1021/jm010960b
Homo sapiens	Serum albumin	PPB	58.0	%	10.1021/jm049227l
Homo sapiens	SF-268	GI50	100000.0	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SF-539	GI50	100000.0	nM	None
Homo sapiens	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	Skin	log Pe	-2.0	None	10.1016/j.bmcl.2009.11.039
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	100000.0	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	100000.0	nM	None
Homo sapiens	Solute carrier family 22 member 1	Inhibition	-9.8	%	10.1021/jm8003152
Homo sapiens	Solute carrier family 22 member 6	Activity	nan	None	10.1006/bbrc.1998.9978
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	68.94	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	82.24	%	10.1124/mol.112.084152
Homo sapiens	SR	GI50	100000.0	nM	None
Homo sapiens	Survival motor neuron protein	Potency	1258.9	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	T47D	GI50	100000.0	nM	None
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane-A synthase	IC50	nan	None	None
Homo sapiens	Thromboxane-A synthase	Ki	nan	None	None
Homo sapiens	Thyroid hormone receptor beta-1	Potency	281.8	nM	None
Homo sapiens	TK-10	GI50	100000.0	nM	None
Homo sapiens	Type-1 angiotensin II receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Tyrosine-protein kinase FYN	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase FYN	Ki	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	Ki	nan	None	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	100000.0	nM	None
Homo sapiens	UO-31	GI50	100000.0	nM	None
Homo sapiens	Vascular endothelial growth factor receptor 1	IC50	nan	None	None
Homo sapiens	Vascular endothelial growth factor receptor 1	Ki	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	IC50	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	Ki	nan	None	None
Homo sapiens	Vasopressin V1a receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Vasopressin V1a receptor	IC50	nan	None	None
Homo sapiens	Vasopressin V1a receptor	Ki	nan	None	None
Homo sapiens	Vasopressin V2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	14.61	%	10.6019/CHEMBL4513141
Leishmania amazonensis	Leishmania amazonensis	IC50	nan	None	10.1016/j.bmc.2010.01.068
Leishmania donovani	Leishmania donovani	IC50	nan	None	10.1016/j.bmc.2010.01.068
Leishmania infantum	Leishmania infantum	IC50	nan	None	10.1016/j.bmc.2010.01.068
Leishmania major	Leishmania major	IC50	nan	None	10.1016/j.bmc.2010.01.068
Leishmania mexicana	Leishmania mexicana	IC50	nan	None	10.1016/j.bmc.2010.01.068
Mus musculus	Heat shock factor protein 1	EC50	195000.0	nM	None
Mus musculus	Monoamine oxidase A	Activity	nan	None	10.1021/jm800656v
Mus musculus	Monoamine oxidase B	Activity	nan	None	10.1021/jm800656v
Mus musculus	Mus musculus	DL50	6000.0	mg kg-1	10.1021/jm00100a001
Mus musculus	Mus musculus	mequiv of Na+/kg	nan	None	10.1021/jm00395a020
Mus musculus	Mus musculus	Na+ excretion	4.5	m equiv kg-1	10.1021/jm00374a014
Mus musculus	Mus musculus	Na+ excretion	6.7	m equiv kg-1	10.1021/jm00374a014
Mus musculus	Nitric oxide synthase, inducible	IC50	nan	None	None
Mus musculus	Nitric oxide synthase, inducible	Ki	nan	None	None
Oryctolagus cuniculus	Angiotensin-converting enzyme	IC50	nan	None	None
Oryctolagus cuniculus	Angiotensin-converting enzyme	Ki	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	IC50	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	Ki	nan	None	None
Pan troglodytes	Pan troglodytes	Activity	144.0	uEq	10.1021/jm00203a006
Pan troglodytes	Pan troglodytes	Activity	144.0	uEq	10.1021/jm00221a010
Pan troglodytes	Pan troglodytes	Delta C urate / delta C insulin	-0.015	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Delta C urate / delta C insulin	0.01	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Excretion rate	73.0	None	10.1021/jm00139a020
Pan troglodytes	Pan troglodytes	Excretion rate	144.0	None	10.1021/jm00139a020
Pan troglodytes	Pan troglodytes	Excretion rate	198.0	None	10.1021/jm00139a020
Pan troglodytes	Pan troglodytes	Increase	25.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase	93.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase	144.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase	187.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase	198.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase	275.0	None	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase in volume	1.0	ml min-1	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Increase in volume	1.8	ml min-1	10.1021/jm00373a005
Pan troglodytes	Pan troglodytes	Oral activity	144.0	None	10.1021/jm00139a019
Pan troglodytes	Pan troglodytes	Ratio	-0.02	None	10.1021/jm00203a006
Pan troglodytes	Pan troglodytes	Ratio	-0.02	None	10.1021/jm00221a010
Plasmodium falciparum	Plasmodium falciparum	IC50	nan	None	10.1016/j.bmc.2010.01.068
Pneumocystis carinii	Pneumocystis carinii	IC50	nan	None	10.1016/j.bmc.2010.01.068
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	21.02	%	10.6019/CHEMBL4513141
Rattus norvegicus	Aldose reductase	IC50	nan	None	None
Rattus norvegicus	Aldose reductase	Ki	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Androgen Receptor	IC50	nan	None	None
Rattus norvegicus	Androgen Receptor	Ki	nan	None	None
Rattus norvegicus	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glycine receptor	IC50	nan	None	None
Rattus norvegicus	Glycine receptor	Ki	nan	None	None
Rattus norvegicus	Insulin receptor	IC50	nan	None	None
Rattus norvegicus	Insulin receptor	Ki	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	IC50	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	Ki	nan	None	None
Rattus norvegicus	Plasma	logFu	0.6	None	10.1016/j.ejmech.2009.06.004
Rattus norvegicus	Rattus norvegicus	Activity	-10.5	mmHg	10.1016/j.bmcl.2016.10.032
Rattus norvegicus	Rattus norvegicus	Activity	-7.0	mmHg	10.1016/j.bmcl.2017.03.086
Rattus norvegicus	Rattus norvegicus	Activity	0.261	None	10.1021/jm00151a017
Rattus norvegicus	Rattus norvegicus	Activity	1.8	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	1.9	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	2.3	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	3.1	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	3.9	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	4.78	mg/dl	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	5.1	m equiv kg-1	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Activity	7.17	ml	10.1021/jm00151a017
Rattus norvegicus	Rattus norvegicus	Activity	15.0	mmHg	10.1021/acsmedchemlett.6b00122
Rattus norvegicus	Rattus norvegicus	Activity	23.62	mS/cm	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	33.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	40.95	mmol/L	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	50.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	61.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	89.04	%	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	92.9	%	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	112.0	10'2mEq	10.1021/jm00221a010
Rattus norvegicus	Rattus norvegicus	Activity	123.0	10'2mEq	10.1021/jm00221a010
Rattus norvegicus	Rattus norvegicus	Activity	127.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	128.0	10'2mEq	10.1021/jm00221a010
Rattus norvegicus	Rattus norvegicus	Activity	131.0	10'2mEq	10.1021/jm00221a010
Rattus norvegicus	Rattus norvegicus	Activity	133.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	143.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	146.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	154.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	163.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	168.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	175.7	mmol/L	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	191.0	None	10.1021/jm00373a005
Rattus norvegicus	Rattus norvegicus	Activity	279.8	mmol/L	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	Activity	11200.0	milliequivalent	10.1021/jm00203a006
Rattus norvegicus	Rattus norvegicus	Activity	12300.0	milliequivalent	10.1021/jm00203a006
Rattus norvegicus	Rattus norvegicus	Activity	12800.0	milliequivalent	10.1021/jm00203a006
Rattus norvegicus	Rattus norvegicus	Activity	13100.0	milliequivalent	10.1021/jm00203a006
Rattus norvegicus	Rattus norvegicus	Activity	nan	None	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	ALB	40700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	352.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	353.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	390.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	393.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	46.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	49.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	52.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	64.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	80.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	88.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	89.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	90.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	136.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	143.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	190.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Change in BP	-26.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	CHLORIDE	95.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	97.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	101.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	103.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	620.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	656.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	690.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	706.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	157.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	269.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	303.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	517.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Cl-	0.78	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	3.94	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	4.42	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	4.44	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	4.67	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	4.88	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Cl-	nan	None	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	CO2	24330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	25330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Control	201.0	%	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	CREAT	1.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Decrease in blood pressure	18.0	mmHg	10.1021/jm00156a011
Rattus norvegicus	Rattus norvegicus	Decrease in blood pressure	28.6	mmHg	10.1021/jm00156a011
Rattus norvegicus	Rattus norvegicus	Decrease in blood pressure	36.7	mmHg	10.1021/jm00156a011
Rattus norvegicus	Rattus norvegicus	Delta blood pressure	-35.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Delta blood pressure	-20.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Delta blood pressure	-18.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Delta blood pressure	-12.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Diuretic activity	0.34	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	0.37	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	0.38	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	0.65	m equiv	10.1021/jm00378a030
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.12	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.23	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.28	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.31	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.37	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.43	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.54	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.56	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	1.8	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	2.4	None	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Diuretic activity	7.18	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Diuretic effects	34.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	37.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	123.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	128.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	131.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	143.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	154.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Diuretic effects	156.0	None	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Duration	8.0	hr	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Duration	8.0	hr	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Duration	12.0	hr	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Duration	12.0	hr	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	ED2	1.57	mg kg-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	ED200	nan	None	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	ED50	4.86	mg.kg-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	69.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	84.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Excretion	0.6	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	0.7	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	0.8	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.0	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.2	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.4	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.5	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.7	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	2.8	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	3.0	m equiv	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	7.5	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	7.8	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	7.9	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	8.1	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	8.4	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	13.9	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	14.6	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	15.1	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	15.8	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion	16.0	ml	10.1021/jm00343a022
Rattus norvegicus	Rattus norvegicus	Excretion Cl-	0.8	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Cl-	1.31	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Cl-	1.91	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Cl-	1.97	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Cl-	2.17	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion K+	0.27	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion K+	0.32	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion K+	0.37	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion K+	0.39	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion K+	0.4	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Na+	0.82	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Na+	1.36	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Na+	1.79	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Na+	1.89	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion Na+	2.03	m equiv	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Excretion rate	112.0	None	10.1021/jm00139a020
Rattus norvegicus	Rattus norvegicus	Excretion rate	123.0	None	10.1021/jm00139a020
Rattus norvegicus	Rattus norvegicus	Excretion rate	128.0	None	10.1021/jm00139a020
Rattus norvegicus	Rattus norvegicus	Excretion rate	131.0	None	10.1021/jm00139a020
Rattus norvegicus	Rattus norvegicus	FC	1.4	None	10.1021/ml500440u
Rattus norvegicus	Rattus norvegicus	FC	2.0	None	10.1016/j.bmcl.2013.08.104
Rattus norvegicus	Rattus norvegicus	FC	2.0	None	10.1021/acsmedchemlett.6b00122
Rattus norvegicus	Rattus norvegicus	FC	2.1	None	10.1021/ml500440u
Rattus norvegicus	Rattus norvegicus	FC	2.2	None	10.1016/j.bmcl.2016.03.035
Rattus norvegicus	Rattus norvegicus	FC	2.3	None	10.1021/ml500440u
Rattus norvegicus	Rattus norvegicus	FC	2.8	None	10.1016/j.bmcl.2016.03.035
Rattus norvegicus	Rattus norvegicus	FC	3.5	None	10.1016/j.bmcl.2013.08.104
Rattus norvegicus	Rattus norvegicus	GLUC	1493.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1533.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1593.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1623.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.87	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	34.73	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.57	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	36.07	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	136300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	137700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	139300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	142300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HR	436.0	beats min-1	10.1021/jm00378a030
Rattus norvegicus	Rattus norvegicus	Initial blood pressure	168.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Initial blood pressure	188.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	K	0.53	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.14	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.23	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.26	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.43	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.57	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	1.64	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	K	nan	None	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	LDH	110.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	281.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	306.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	413.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	10.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	10610.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	11188.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	12129.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	12827.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	77.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	88.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	89.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	90.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MABP	153.0	mmHg	10.1021/jm00378a030
Rattus norvegicus	Rattus norvegicus	MABP change	0.0	mmHg	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	MABP change	2.0	mmHg	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	MAP	14.0	mmHg	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	MAP	25.0	mmHg	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	MAP	26.0	mmHg	10.1021/jm00186a024
Rattus norvegicus	Rattus norvegicus	Max fall	25.0	mmHg	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	Max fall	26.0	mmHg	10.1021/jm00133a024
Rattus norvegicus	Rattus norvegicus	MCH	23.43	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.8	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.03	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.4	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	392000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	394700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	396700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	402300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.7	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.07	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.63	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.83	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	1.42	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	1.77	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	1.78	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	1.91	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	2.03	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Cl-	2.09	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.26	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.3	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.31	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.32	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.34	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of K+	0.36	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Na+	1.32	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Na+	1.59	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Na+	1.66	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Na+	1.86	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean excretion of Na+	1.9	m equiv	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean urine volume	8.48	ml	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean urine volume	9.24	ml	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean urine volume	10.03	ml	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	Mean urine volume	10.61	ml	10.1021/jm00126a003
Rattus norvegicus	Rattus norvegicus	MONO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	37.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	104.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	107.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Na	0.32	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	2.14	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	2.78	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	2.86	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	3.03	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	3.05	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	3.19	m equiv 6hr-1 kg-1 (body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Na	nan	None	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	21.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1278.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1466.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1585.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	3446.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Oral activity	112.0	None	10.1021/jm00139a019
Rattus norvegicus	Rattus norvegicus	Oral activity	123.0	None	10.1021/jm00139a019
Rattus norvegicus	Rattus norvegicus	Oral activity	128.0	None	10.1021/jm00139a019
Rattus norvegicus	Rattus norvegicus	Oral activity	131.0	None	10.1021/jm00139a019
Rattus norvegicus	Rattus norvegicus	pH	6.42	None	10.1021/acs.jnatprod.0c00274
Rattus norvegicus	Rattus norvegicus	PHOS	112.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	121.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	127.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1140000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1189670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1221670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1306000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Post drug blood pressure	133.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Post drug blood pressure	148.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Post drug blood pressure	150.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	Post drug blood pressure	156.0	mmHg	10.1021/jm00395a020
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.57	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.18	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.56	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.59	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Ratio	3.0	None	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Ratio	4.3	None	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Ratio	4.6	None	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	Ratio	5.1	None	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	RBC	5590000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5790000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5920000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5960000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.67	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Score	2.0	None	10.1021/jm00141a009
Rattus norvegicus	Rattus norvegicus	Score	2.0	None	10.1021/jm00358a023
Rattus norvegicus	Rattus norvegicus	SODIUM	141.57	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.2	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.7	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	TIME	2.0	hr	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	14.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	15.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	20.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	25.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Urinary Na+	0.16	m equiv	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urinary Na+	0.17	m equiv	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urinary Na+	0.19	m equiv	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urinary Na+	0.24	m equiv	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urinary Na+	0.39	m equiv	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urinary output	4.0	ml	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Urinary output	5.9	ml	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Urinary output	7.3	ml	10.1021/jm00053a020
Rattus norvegicus	Rattus norvegicus	Urinary volume	1.9	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urinary volume	2.2	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urinary volume	2.3	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urinary volume	2.4	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urinary volume	2.6	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urinary volume	2.7	None	10.1021/jm00158a030
Rattus norvegicus	Rattus norvegicus	Urine volume	1.38	ml	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urine volume	2.92	ml	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urine volume	3.37	ml	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urine volume	3.42	ml	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	Urine volume	4.97	ml	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	4.4	ml	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	V	6.8	ml	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	V	10.0	ml	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	V	10.2	ml	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	V	11.3	ml	10.1021/jm00048a005
Rattus norvegicus	Rattus norvegicus	V	24.3	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	32.5	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	38.07	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	39.01	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	42.94	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	44.48	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	47.06	ml 6hr-1 (kg of body weight)-1	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	V	nan	None	10.1021/jm00100a001
Rattus norvegicus	Rattus norvegicus	WBC	12470.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	13630.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14230.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14600.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Ki	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	Ki	nan	None	None
Rattus norvegicus	Solute carrier family 22 member 6	Ki	150000.0	nM	None
Rattus norvegicus	Voltage-gated L-type calcium channel alpha-1C subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Voltage-gated N-type calcium channel alpha-1B subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	16.24	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	24.02	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.03672	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-1.29	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.14	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.13	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	0.05586	None	10.1101/2020.04.03.023846
Staphylococcus aureus	Staphylococcus aureus	Inhibition	6.38	%	10.6019/CHEMBL4513141
Sulfurihydrogenibium sp. (strain YO3AOP1)	Carbonate dehydratase	Ki	7.2	nM	10.1016/j.bmcl.2015.11.104
Thalassiosira weissflogii	Delta carbonic anhydrase	Ki	4270.0	nM	10.1016/j.bmcl.2013.11.021
Thiomicrospira crunogena (strain XCL-2)	Carbonic anhydrase, alpha family	Ki	296.0	nM	10.1016/j.bmcl.2015.11.104
Toxoplasma gondii	Toxoplasma gondii	IC50	nan	None	10.1016/j.bmc.2010.01.068
Trichomonas vaginalis	Trichomonas vaginalis	IC50	nan	None	10.1016/j.bmc.2010.01.068
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	8492.1	nM	None
Trypanosoma brucei	Trypanosoma brucei	IC50	nan	None	10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	nan	None	10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	nan	None	10.1016/j.bmc.2010.01.068
Trypanosoma cruzi	Trypanosoma cruzi	IC50	nan	None	10.1016/j.bmc.2010.01.068
None	ADMET	B(DPB)	50.8	%	10.1021/jm040760a
None	ADMET	delta logD	0.42	None	10.1021/jm0000564
None	ADMET	Diuretic activity	0.4	None	10.1021/jm00186a024
None	ADMET	Diuretic activity	0.6	None	10.1021/jm00186a024
None	ADMET	Diuretic activity	1.63	m equiv	10.1021/jm00378a030
None	ADMET	Diuretic activity	13.2	ml	10.1021/jm00378a030
None	ADMET	Drug metabolism	nan	None	10.1021/acs.jmedchem.1c01333
None	ADMET	F	79.0	%	10.1021/jm0000564
None	ADMET	K+ excretion	1.2	None	10.1021/jm00158a030
None	ADMET	K+ excretion	1.5	None	10.1021/jm00158a030
None	ADMET	K+ excretion	1.6	None	10.1021/jm00158a030
None	ADMET	K+ excretion	1.7	None	10.1021/jm00158a030
None	ADMET	log10(%HIA +10)	1.875	None	10.1016/j.ejmech.2010.11.005
None	ADMET	log Ks	1.76	None	10.1016/j.bmc.2008.11.040
None	ADMET	LogP app	-6.59	None	10.1016/j.bmc.2007.03.040
None	ADMET	LogP app	-6.54	None	10.1016/j.bmc.2007.03.040
None	ADMET	Log Pe	-4.7	cm s-1	10.1021/jm001020e
None	ADMET	Log Pe	-4.2	cm s-1	10.1021/jm001020e
None	ADMET	Mean urine volume	7.18	ml	10.1021/jm00126a003
None	ADMET	Mean urine volume	8.87	ml	10.1021/jm00126a003
None	ADMET	Na+ excretion	1.7	None	10.1021/jm00158a030
None	ADMET	Na+ excretion	2.0	None	10.1021/jm00158a030
None	ADMET	Na+ excretion	2.1	None	10.1021/jm00158a030
None	ADMET	Na+ excretion	2.4	None	10.1021/jm00158a030
None	ADMET	Na+ excretion	2.5	None	10.1021/jm00158a030
None	ADMET	Papp	0.29	10^-6 cm/s	10.1016/j.bmc.2007.03.040
None	ADMET	permeability	0.04	10'-4 cm/s	10.1021/jm901846t
None	ADMET	PPB	71.99	%	10.6019/CHEMBL3301361
None	ADMET	Ratio	0.67	None	10.1021/jm00100a001
None	ADMET	Ratio	1.79	None	10.1021/jm00100a001
None	ADMET	Ratio	1.81	None	10.1021/jm00100a001
None	ADMET	Ratio	2.11	None	10.1021/jm00100a001
None	ADMET	Ratio	2.2	None	10.1021/jm00100a001
None	ADMET	Ratio	2.64	None	10.1021/jm00100a001
None	ADMET	Ratio	2.67	None	10.1021/jm00100a001
None	ADMET	Ratio	nan	None	10.1021/jm00100a001
None	ADMET	T1/2	48.0	hr	10.1021/acs.jmedchem.1c01333
None	ADMET	Urine volume	30.0	ml	10.1021/jm00373a005
None	ADMET	Urine volume	32.0	ml	10.1021/jm00373a005
None	ADMET	Urine volume	33.0	ml	10.1021/jm00373a005
None	ADMET	Urine volume	37.0	ml	10.1021/jm00373a005
None	Hepatotoxicity	Alkaline Phosphatase Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Alkaline Phosphatase Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Alkaline Phosphatase Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Active	0.0	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Marginal	0.0	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx1000865
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx900326k
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1124/dmd.110.035113
None	Hepatotoxicity	HepSE_bilirubinemia	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholecystitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholelithiasis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cirrhosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_Combined Scores	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_elevated liver function tests	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic failure	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic necrosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver disease	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver fatty	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver function tests abnormal	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	LDH Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	LDH Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	LDH Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Liposome	Other	60.0	None	10.1021/jm991156g
None	Liposome	Other	95.0	None	10.1021/jm991156g
None	NON-PROTEIN TARGET	Hepatotoxicity (acute)	0.0	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (animal toxicity known)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (benign tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (granulomatous hepatitis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (mechanism)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	2.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	2.4	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (time to onset)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	IC50	nan	None	10.1016/j.bmc.2010.01.068
None	NON-PROTEIN TARGET	Potency	10583.9	nM	None
None	NON-PROTEIN TARGET	Potency	11220.2	nM	None
None	NON-PROTEIN TARGET	Potency	12589.3	nM	None
None	NON-PROTEIN TARGET	Potency	14950.2	nM	None
None	NON-PROTEIN TARGET	Potency	16774.4	nM	None
None	NON-PROTEIN TARGET	Potency	21117.7	nM	None
None	NON-PROTEIN TARGET	Ratio	-0.02	None	10.1021/jm00139a019
None	NON-PROTEIN TARGET	Ratio	-0.02	None	10.1021/jm00139a020
None	No relevant target	CLogP	-0.15	None	10.1021/jm9810102
None	No relevant target	Daq	7.5	10'-6cm2/s	10.1021/jm901846t
None	No relevant target	GOF	1.6	None	10.1021/jm9810102
None	No relevant target	LogD	-2.5	None	10.1016/j.bmc.2023.117203
None	No relevant target	LogD	-0.34	None	10.1016/j.bmc.2023.117203
None	No relevant target	LogD	-0.2	None	10.1021/jm001020e
None	No relevant target	LogD	-0.2	None	10.1021/jm9810102
None	No relevant target	LogD	-0.19	None	10.1021/jm0000564
None	No relevant target	LogD	-0.07	None	10.1016/j.bmcl.2009.11.039
None	No relevant target	LogD	-0.07	None	10.1021/jf102525e
None	No relevant target	LogD	0.0	None	10.1016/j.bmc.2023.117203
None	No relevant target	LogD7.4	-0.19	None	10.1021/jm040760a
None	No relevant target	LogD7.4	-0.09	None	10.6019/CHEMBL3301361
None	No relevant target	LogP	-0.07	None	10.1016/j.bmc.2007.03.040
None	No relevant target	LogP	-0.07	None	10.1021/jf102525e
None	No relevant target	LogP	-0.03	None	10.1021/jm901846t
None	No relevant target	LogP	0.0	None	10.1016/j.bmc.2023.117203
None	No relevant target	LogP	0.17	None	10.1021/jm9810102
None	No relevant target	logPapp	-6.69	None	10.1021/jf102525e
None	No relevant target	Peff	0.6	nm/s	10.1021/acs.jmedchem.8b00286
None	No relevant target	pKa	0.0	None	10.1021/jf102525e
None	No relevant target	pKa	7.0	None	10.1021/jm0000564
None	No relevant target	pKa	7.9	None	10.1016/j.ejmech.2009.06.004
None	No relevant target	pKa	8.53	None	10.1021/jm901846t
None	No relevant target	pKa	8.68	None	10.1016/j.bmc.2023.117203
None	No relevant target	pKa	9.39	None	10.1016/j.bmc.2023.117203
None	No relevant target	pKa	9.82	None	10.1016/j.bmc.2023.117203
None	No relevant target	pKa	9.95	None	10.1021/jm040760a
None	No relevant target	pKa	10.07	None	10.1021/jm9810102
None	No relevant target	pKa	10.1	None	10.1016/j.bmc.2023.117203
None	No relevant target	pKa	24.06	None	10.1016/j.bmc.2023.117203
None	No relevant target	pKa	nan	None	10.1016/j.bmc.2023.117203
None	No relevant target	Retention_index	-0.76	None	10.1016/j.bmc.2023.117203
None	No relevant target	Solubility	741300.0	nM	10.6019/CHEMBL3301361
None	Unchecked	Ac50	0.631	uM	None
None	Unchecked	Ac50	1.259	uM	None
None	Unchecked	Ac50	2.818	uM	None
None	Unchecked	AC50	631.0	nM	None
None	Unchecked	AC50	1258.9	nM	None
None	Unchecked	AC50	2818.4	nM	None
None	Unchecked	Activity	nan	None	10.1021/jm901905j
None	Unchecked	Hepatotoxicity (acute)	4.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (association with vascular disease)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (choleostasis)	1.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (chronic liver disease)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cirrhosis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (comment)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cytolytic)	3.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (malignant tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (severe hepatitis)	1.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (steatosis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (successful reintroduction)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	IC50	nan	None	None
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873
None	Unchecked	Ki	7.2	nM	10.1016/j.bmc.2012.07.024
None	Unchecked	Ki	50.2	nM	10.1016/j.bmcl.2013.11.021
None	Unchecked	Ki	50.2	nM	10.1021/jm400939k
None	Unchecked	Ki	58.7	nM	10.1016/j.bmc.2015.02.045
None	Unchecked	Ki	58.7	nM	10.1016/j.bmcl.2015.06.079
None	Unchecked	Ki	58.7	nM	10.1016/j.bmcl.2016.01.023
None	Unchecked	Ki	68.0	nM	10.1021/acsmedchemlett.0c00417
None	Unchecked	Ki	79.5	nM	10.1016/j.bmc.2016.01.037
None	Unchecked	Ki	79.5	nM	10.1021/jm301611m
None	Unchecked	Ki	87.0	nM	10.1016/j.bmc.2016.01.037
None	Unchecked	Ki	87.0	nM	10.1016/j.bmcl.2016.02.032
None	Unchecked	Ki	133.0	nM	10.1016/j.bmcl.2016.02.032
None	Unchecked	Ki	134.0	nM	10.1021/jm4000616
None	Unchecked	Ki	153.0	nM	10.1016/j.bmc.2014.12.009
None	Unchecked	Ki	345.0	nM	10.1016/j.bmcl.2016.01.023
None	Unchecked	Ki	380.0	nM	10.1016/j.bmc.2014.07.048
None	Unchecked	Ki	380.0	nM	10.1016/j.bmc.2015.02.045
None	Unchecked	Ki	380.0	nM	10.1016/j.bmcl.2013.11.021
None	Unchecked	Ki	380.0	nM	10.1016/j.bmcl.2013.11.030
None	Unchecked	Ki	380.0	nM	10.1016/j.bmcl.2016.01.023
None	Unchecked	Ki	500.0	nM	10.1016/j.bmcl.2016.03.014
None	Unchecked	Ki	500.0	nM	10.1016/j.bmcl.2016.12.035
None	Unchecked	Ki	630.0	nM	10.1016/j.bmc.2011.02.015
None	Unchecked	Ki	630.0	nM	10.1016/j.bmcl.2015.10.074
None	Unchecked	Ki	745.0	nM	10.1016/j.bmc.2014.04.006
None	Unchecked	Ki	790.0	nM	10.1016/j.bmcl.2015.06.079
None	Unchecked	Ki	790.0	nM	10.1016/j.bmcl.2016.01.023
None	Unchecked	Ki	866.0	nM	10.1016/j.bmcl.2015.10.074
None	Unchecked	Ki	1572.0	nM	10.1016/j.bmc.2014.07.048
None	Unchecked	Ki	2615.0	nM	10.1016/j.bmcl.2015.04.037
None	Unchecked	Ki	3490.0	nM	10.1016/j.bmc.2017.05.007
None	Unchecked	Ki	6810.0	nM	10.1016/j.bmc.2011.06.038
None	Unchecked	Ki	6870.0	nM	10.1016/j.bmc.2011.06.038
None	Unchecked	Ki	9030.0	nM	10.1016/j.bmc.2017.05.007
None	Unchecked	Ki	15800.0	nM	10.1016/j.bmc.2014.04.006
None	Unchecked	Ki	19600.0	nM	10.1016/j.bmcl.2016.07.060
None	Unchecked	Ki	50000.0	nM	10.1016/j.bmcl.2016.12.035
None	Unchecked	Ki	nan	None	10.1016/j.bmc.2012.07.024
None	Unchecked	Ki	nan	None	10.1016/j.bmc.2014.04.006
None	Unchecked	Ki	nan	None	10.1016/j.bmc.2014.07.048
None	Unchecked	Ki	nan	None	10.1016/j.bmc.2015.02.045
None	Unchecked	Ki	nan	None	10.1016/j.bmcl.2013.11.030
None	Unchecked	Ki	nan	None	10.1016/j.bmcl.2015.06.079
None	Unchecked	Ki	nan	None	None
None	Unchecked	Potency	3162.3	nM	None
None	Unchecked	Potency	15848.9	nM	None
None	Unchecked	Potency	31622.8	nM	None
None	Unchecked	Ratio	1.7	None	10.1021/jm00053a020
None	Unchecked	Ratio	2.0	None	10.1021/jm00053a020
None	Unchecked	Ratio	2.2	None	10.1021/jm00053a020