Molecule

Prandiol

AlkaPlorer ID: AK005797

Synonym: 'Protangix'

IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

Structure

SMILES: OCCN(CCO)C1=NC(N2CCCCC2)=C2N=C(N(CCO)CCO)N=C(N3CCCCC3)C2=N1

InChI: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N

Reference

Chemical studies on the root of Heracleum candicans WALL.

PubChem CID: 3108

CAS: 58-32-2

LOTUS: LTS0051783

SuperNatural Ⅲ: SN0159223

COCONUT: CNP0248145

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Prangos ferulacea	Prangos	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 504.6360000000004

TPSA？: 145.44

MolLogP？: -0.0175999999999973

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	12.25	%	10.6019/CHEMBL4513141
Bacillus anthracis	Anthrax lethal factor	Potency	10000.0	nM	None
Bacillus anthracis	Anthrax lethal factor	Potency	15848.9	nM	None
Bacillus anthracis	Anthrax lethal factor	Potency	19952.6	nM	None
Bacillus subtilis (strain 168)	DNA polymerase III	Potency	29934.9	nM	None
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
Candida albicans	Candida albicans	Inhibition	2.59	%	10.6019/CHEMBL4513141
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	5.59	%	10.6019/CHEMBL4513141
Equus caballus	Ferritin light chain	Potency	10000.0	nM	None
Equus caballus	Ferritin light chain	Potency	12589.3	nM	None
Equus caballus	Ferritin light chain	Potency	35481.3	nM	None
Escherichia coli	Escherichia coli	Inhibition	7.34	%	10.6019/CHEMBL4513141
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	14125.4	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	25118.9	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	31622.8	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	35481.3	nM	None
Homo sapiens	786-0	GI50	31915.38	nM	None
Homo sapiens	A549	GI50	38459.18	nM	None
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	ACHN	GI50	33884.42	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	24729.8	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	Aldehyde dehydrogenase 1A1	Potency	17782.8	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	22387.2	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	25118.9	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	37650.5	nM	None
Homo sapiens	Alpha-1a adrenergic receptor	AC50	3500.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	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	AC50	30000.0	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	30000.0	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	30000.0	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	Androgen Receptor	Inhibition	82.0	%	10.1073/pnas.0708036104
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	Arachidonate 15-lipoxygenase, type II	Potency	19952.6	nM	None
Homo sapiens	Ataxin-2	Potency	12589.3	nM	None
Homo sapiens	Ataxin-2	Potency	25118.9	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	231.0	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	461.1	nM	None
Homo sapiens	ATP-binding cassette sub-family G member 2	IC50	6400.0	nM	10.1016/j.ejmech.2022.114346
Homo sapiens	Beta-1 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-1 adrenergic receptor	Ki	nan	None	None
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	IC50	4000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Bloom syndrome protein	Potency	19952.6	nM	None
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	Breast cancer type 1 susceptibility protein	Potency	15848.9	nM	None
Homo sapiens	Breast cancer type 1 susceptibility protein	Potency	39810.7	nM	None
Homo sapiens	Bromodomain adjacent to zinc finger domain protein 2B	Potency	79432.8	nM	None
Homo sapiens	CAKI-1	GI50	45498.81	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	42.0	%	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	30000.0	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 II	IC50	nan	None	None
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	Caspase-1	Potency	3981.1	nM	None
Homo sapiens	Caspase-1	Potency	5011.9	nM	None
Homo sapiens	Caspase-7	Potency	3981.1	nM	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	19998.62	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	COLO 205	GI50	41879.36	nM	None
Homo sapiens	COR-L23	Activity	100.0	%	10.1021/jm101493z
Homo sapiens	COR-L23	Inhibition	nan	%	10.1021/jm101493z
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	1258.93	nM	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 2C19	Potency	1258.9	nM	None
Homo sapiens	Cytochrome P450 2C19	Potency	3981.1	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	5011.87	nM	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	5011.9	nM	None
Homo sapiens	Cytochrome P450 2C9	Potency	7943.3	nM	None
Homo sapiens	Cytochrome P450 2D6	AC50	10000.0	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 2D6	Potency	10000.0	nM	None
Homo sapiens	Cytochrome P450 2D6	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 2E1	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2E1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	10000.0	nM	None
Homo sapiens	Cytochrome P450 3A4	IC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Potency	10000.0	nM	None
Homo sapiens	Delta opioid receptor	AC50	30000.0	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	17782.8	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	39810.7	nM	None
Homo sapiens	DNA dC->dU-editing enzyme APOBEC-3F	Potency	22387.2	nM	None
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	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 D1 receptor	Potency	2909.1	nM	None
Homo sapiens	Dopamine D1 receptor	Potency	10000.0	nM	None
Homo sapiens	Dopamine D1 receptor	Potency	11220.2	nM	None
Homo sapiens	Dopamine D2 receptor	AC50	30000.0	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	30000.0	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	IC50	nan	None	None
Homo sapiens	Dopamine D4 receptor	Ki	nan	None	None
Homo sapiens	Dopamine transporter	AC50	30000.0	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	48752.85	nM	None
Homo sapiens	EKVX	GI50	25585.86	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	12589.3	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	25118.9	nM	None
Homo sapiens	Endothelin receptor ET-A	IC50	nan	None	None
Homo sapiens	Endothelin receptor ET-A	Ki	nan	None	None
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	16.2	nM	10.1038/s41467-023-40064-9
Homo sapiens	Equilibrative nucleoside transporter 1	IC50	8.1	nM	10.1038/s41598-019-48829-3
Homo sapiens	Equilibrative nucleoside transporter 1	IC50	144.8	nM	10.1021/jm070311l
Homo sapiens	Equilibrative nucleoside transporter 1	Inhibition	86.7	%	10.1021/jm070311l
Homo sapiens	Equilibrative nucleoside transporter 1	Ki	8.18	nM	10.1021/jm070311l
Homo sapiens	Equilibrative nucleoside transporter 1	Ki	8.79	nM	10.1016/j.bmcl.2004.02.016
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	IC50	nan	None	None
Homo sapiens	Estrogen receptor beta	Ki	nan	None	None
Homo sapiens	Eyes absent homolog 2	Potency	125892.5	nM	None
Homo sapiens	Geminin	Potency	2059.6	nM	None
Homo sapiens	Geminin	Potency	2310.9	nM	None
Homo sapiens	Geminin	Potency	5956.9	nM	None
Homo sapiens	Geminin	Potency	6993.4	nM	None
Homo sapiens	Geminin	Potency	9441.1	nM	None
Homo sapiens	Geminin	Potency	11582.1	nM	None
Homo sapiens	Geminin	Potency	12589.3	nM	None
Homo sapiens	Geminin	Potency	25929.0	nM	None
Homo sapiens	Ghrelin 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	GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1	Potency	39810.7	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(i) subunit alpha-1/Regulator of G-protein signaling 12	Potency	10000.0	nM	None
Homo sapiens	H4	Activity	30.25	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	32.22	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	32.54	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	79.08	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	79.22	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	81.07	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	82.64	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	158.96	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	170.2	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	199.02	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	213.63	%	10.1073/pnas.0709695104
Homo sapiens	HCC 2998	GI50	16255.49	nM	None
Homo sapiens	HCT-116	GI50	40271.7	nM	None
Homo sapiens	HCT-15	GI50	31405.09	nM	None
Homo sapiens	Heat shock protein HSP90	IC50	21068.2	nM	None
Homo sapiens	HEK293	Potency	517.1	nM	None
Homo sapiens	HEK293	Potency	25929.0	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	HERG	Potency	31622.8	nM	None
Homo sapiens	Histamine H1 receptor	AC50	30000.0	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	30000.0	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	Histone acetyltransferase GCN5	Potency	2511.9	nM	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	25118.9	nM	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	28183.8	nM	None
Homo sapiens	Histone deacetylase 6	Inhibition	-31.78	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	5.27	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1778.3	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	4466.8	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	7079.5	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	22387.2	nM	None
Homo sapiens	Histone-lysine N-methyltransferase MLL	Potency	10000.0	nM	None
Homo sapiens	Histone-lysine N-methyltransferase MLL	Potency	25118.9	nM	None
Homo sapiens	HL-60	GI50	15703.63	nM	None
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
Homo sapiens	Homo sapiens	AUC	3440.64	ng.hr.mL-1	10.1093/toxsci/kft176
Homo sapiens	Homo sapiens	Cmax	3960.0	nM	10.1021/jm2001629
Homo sapiens	Homo sapiens	Css	1.136	uM	10.1093/toxsci/kft176
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	3.0	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	Fabs	66.0	%	10.1124/dmd.110.034629
Homo sapiens	Homo sapiens	IC50	500000000000.0	nM	10.1021/jm00118a004
Homo sapiens	HOP-62	GI50	29040.23	nM	None
Homo sapiens	HOP-92	GI50	12133.89	nM	None
Homo sapiens	Hs-578T	GI50	31768.74	nM	None
Homo sapiens	HT-29	GI50	19453.6	nM	None
Homo sapiens	Hypoxia-inducible factor 1 alpha	Potency	25118.9	nM	None
Homo sapiens	IGROV-1	GI50	66680.68	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	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	20596.2	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	44668.4	nM	None
Homo sapiens	K562	GI50	24774.22	nM	None
Homo sapiens	Kappa opioid receptor	AC50	30000.0	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	Keap1/Nrf2	AC50	4030.0	nM	None
Homo sapiens	Kelch-like ECH-associated protein 1	Max_Activity_Concent	50.0	uM	None
Homo sapiens	KM12	GI50	42953.64	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	36982.82	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	12589.3	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	25118.9	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	31622.8	nM	None
Homo sapiens	Lysosomal alpha-glucosidase	Potency	11220.2	nM	None
Homo sapiens	M14	GI50	55847.02	nM	None
Homo sapiens	Malme-3M	GI50	20464.45	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	10000.0	nM	None
Homo sapiens	MDA-MB-231	GI50	43251.38	nM	None
Homo sapiens	MDA-MB-435	GI50	69662.65	nM	None
Homo sapiens	MDA-N	GI50	45814.19	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	Menin/Histone-lysine N-methyltransferase MLL	Potency	3162.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	7943.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	12589.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	14125.4	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	15848.9	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	22387.2	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	28183.8	nM	None
Homo sapiens	MES-SA	Activity	1.01	None	10.1021/jm0491851
Homo sapiens	Microtubule-associated protein tau	Potency	1412.5	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	2511.9	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	3548.1	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	3981.1	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	6309.6	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	7079.5	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	12589.3	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	19952.6	nM	None
Homo sapiens	MOLT-4	GI50	24378.11	nM	None
Homo sapiens	Monoamine oxidase A	AC50	30000.0	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	Mothers against decapentaplegic homolog 3	Potency	8912.5	nM	None
Homo sapiens	Multidrug and toxin extrusion protein 1	IC50	26000.0	nM	10.1021/jm2001629
Homo sapiens	Multidrug and toxin extrusion protein 2	IC50	74000.0	nM	10.1021/jm2001629
Homo sapiens	Multidrug resistance-associated protein 4	Activity	9.0	%	10.1681/asn.v133595
Homo sapiens	Multidrug resistance-associated protein 4	Activity	32.0	%	10.1053/jhep.2003.50331
Homo sapiens	Multidrug resistance-associated protein 4	IC50	2000.0	nM	10.1124/mol.63.5.1094
Homo sapiens	Multidrug resistance-associated protein 4	IC50	8300.0	nM	10.1093/toxsci/kft176
Homo sapiens	Multidrug resistance-associated protein 5	Activity	5.9	%	10.1021/jm2014666
Homo sapiens	Multidrug resistance-associated protein 5	IC50	30000.0	nM	10.1124/mol.63.5.1094
Homo sapiens	Multidrug resistance-associated protein 5	Inhibition	95.0	%	10.1021/jm2014666
Homo sapiens	Mu opioid receptor	AC50	30000.0	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	30000.0	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	2000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	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	30000.0	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	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	Ki	nan	None	None
Homo sapiens	Muscleblind-like protein 1	Potency	39810.7	nM	None
Homo sapiens	NCI/ADR-RES	GI50	21978.6	nM	None
Homo sapiens	NCI-H226	GI50	48865.24	nM	None
Homo sapiens	NCI-H23	GI50	65313.06	nM	None
Homo sapiens	NCI-H322M	GI50	40086.67	nM	None
Homo sapiens	NCI-H460	GI50	27989.81	nM	None
Homo sapiens	NCI-H522	GI50	17864.88	nM	None
Homo sapiens	Neurokinin 1 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 1 receptor	Ki	nan	None	None
Homo sapiens	Neurokinin 2 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 2 receptor	Ki	nan	None	None
Homo sapiens	Neuropeptide S receptor	Potency	6309.6	nM	None
Homo sapiens	Neuropeptide S receptor	Potency	12589.3	nM	None
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	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	30000.0	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	Nuclear factor erythroid 2-related factor 2	Potency	18356.4	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	23109.3	nM	None
Homo sapiens	Nuclear factor NF-kappa-B p105 subunit	Potency	11220.2	nM	None
Homo sapiens	OVCAR-3	GI50	12387.97	nM	None
Homo sapiens	OVCAR-4	GI50	59429.22	nM	None
Homo sapiens	OVCAR-5	GI50	90782.05	nM	None
Homo sapiens	OVCAR-8	GI50	29174.27	nM	None
Homo sapiens	PC-3	GI50	33265.96	nM	None
Homo sapiens	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Potency	26854.5	nM	None
Homo sapiens	Peripheral myelin protein 22	Potency	42561.5	nM	None
Homo sapiens	P-glycoprotein 1	Activity	nan	None	None
Homo sapiens	P-glycoprotein 1	IC50	22700.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	23700.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	34300.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	Inhibition	4.7	%	10.1021/ml200293c
Homo sapiens	P-glycoprotein 1	% maximum response	98.2	%	None
Homo sapiens	P-glycoprotein 1	Papp	28.5	nm/s	None
Homo sapiens	P-glycoprotein 1	Papp	646.0	nm/s	None
Homo sapiens	P-glycoprotein 1	Ratio_ATPase activity	10.8	None	None
Homo sapiens	P-glycoprotein 1	Ratio_Papp	22.7	None	None
Homo sapiens	Phosphodiesterase 1	IC50	45000.0	nM	10.1021/jm50001a001
Homo sapiens	Phosphodiesterase 1	IC50	100000.0	nM	10.1021/jm00076a003
Homo sapiens	Phosphodiesterase 10A	Ki	1000.0	nM	10.1021/jm040217u
Homo sapiens	Phosphodiesterase 11A	Inhibition	16.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 11A	Inhibition	57.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 11A	Inhibition	92.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 11A	Ki	400.0	nM	10.1021/jm040217u
Homo sapiens	Phosphodiesterase 2A	IC50	3240.0	nM	10.1021/jm9905054
Homo sapiens	Phosphodiesterase 2A	IC50	3600.0	nM	10.1021/jm00076a003
Homo sapiens	Phosphodiesterase 2A	IC50	4000.0	nM	10.1021/jm50001a001
Homo sapiens	Phosphodiesterase 3	IC50	43000.0	nM	10.1021/jm50001a001
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4	IC50	500.0	nM	10.1016/s0960-894x(98)00497-1
Homo sapiens	Phosphodiesterase 4D	AC50	4500.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 5A	IC50	520.0	nM	10.1021/jm00076a003
Homo sapiens	Phosphodiesterase 5A	IC50	574.0	nM	10.1021/jm9905054
Homo sapiens	Phosphodiesterase 5A	IC50	2831.0	nM	None
Homo sapiens	Phosphodiesterase 5A	Ki	nan	None	None
Homo sapiens	Phosphodiesterase 6	Ki	125.0	nM	10.1021/jm040217u
Homo sapiens	Phosphodiesterase 7	Ki	600.0	nM	10.1021/jm040217u
Homo sapiens	Phosphodiesterase 7B	Inhibition	3.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 7B	Inhibition	48.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 7B	Inhibition	92.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 8A	IC50	4000.0	nM	10.1016/j.ejmech.2020.113123
Homo sapiens	Phosphodiesterase 8A	Inhibition	13.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 8A	Inhibition	55.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Phosphodiesterase 8A	Inhibition	88.0	%	10.1016/j.ejmech.2019.04.020
Homo sapiens	Plasma	PPB	90.0	%	10.1021/jm2001629
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	4.0	nM	None
Homo sapiens	Prelamin-A/C	Potency	2238.7	nM	None
Homo sapiens	Prelamin-A/C	Potency	15848.9	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	Protein prune homolog	IC50	780.0	nM	10.1016/j.ejmech.2012.08.020
Homo sapiens	Rap guanine nucleotide exchange factor 3	Potency	79432.8	nM	None
Homo sapiens	Rap guanine nucleotide exchange factor 3	Potency	100000.0	nM	None
Homo sapiens	Rap guanine nucleotide exchange factor 4	Potency	56234.1	nM	None
Homo sapiens	Rap guanine nucleotide exchange factor 4	Potency	112201.8	nM	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	Regulator of G-protein signaling 4	Potency	1191.7	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	18887.6	nM	None
Homo sapiens	RPMI-8226	GI50	10000.0	nM	None
Homo sapiens	Serine-protein kinase ATM	Potency	31622.8	nM	None
Homo sapiens	Serine/threonine-protein kinase PLK1	Potency	11917.3	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 1a (5-HT1a) receptor	AC50	30000.0	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	15000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	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	30000.0	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	30000.0	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 transporter	AC50	30000.0	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	SF-268	GI50	79615.94	nM	None
Homo sapiens	SF-295	GI50	18967.06	nM	None
Homo sapiens	SF-539	GI50	31477.48	nM	None
Homo sapiens	SH-SY5Y	Potency	28183.8	nM	None
Homo sapiens	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	SK-MEL-2	GI50	34593.94	nM	None
Homo sapiens	SK-MEL-28	GI50	42953.64	nM	None
Homo sapiens	SK-MEL-5	GI50	21627.19	nM	None
Homo sapiens	SN12C	GI50	33962.53	nM	None
Homo sapiens	SNB-19	GI50	46881.34	nM	None
Homo sapiens	SNB-75	GI50	28054.34	nM	None
Homo sapiens	Sodium channel alpha subunits; brain (Types I, II, III)	Inhibition	18.4	%	10.1021/jm00381a019
Homo sapiens	Solute carrier family 22 member 1	IC50	81000.0	nM	10.1021/jm2001629
Homo sapiens	Solute carrier family 22 member 2	IC50	2600.0	nM	10.1021/jm2001629
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	91.9	%	10.1021/jm300212s
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	312.58	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	89.24	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	91.8	%	10.1021/jm300212s
Homo sapiens	Solute carrier organic anion transporter family member 2B1	Inhibition	83.1	%	10.1021/jm300212s
Homo sapiens	Sphingomyelin phosphodiesterase	Potency	25118.9	nM	None
Homo sapiens	SR	GI50	3459.39	nM	None
Homo sapiens	Survival motor neuron protein	Potency	891.3	nM	None
Homo sapiens	Survival motor neuron protein	Potency	35481.3	nM	None
Homo sapiens	SW-620	GI50	58344.51	nM	None
Homo sapiens	T47D	GI50	35563.13	nM	None
Homo sapiens	TAR DNA-binding protein 43	Potency	22387.2	nM	None
Homo sapiens	Thrombopoietin	Potency	10000.0	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	28183.8	nM	None
Homo sapiens	Thyroid hormone receptor beta-1	Potency	39810.7	nM	None
Homo sapiens	Thyroid stimulating hormone receptor	Potency	31622.8	nM	None
Homo sapiens	TK-10	GI50	17139.57	nM	None
Homo sapiens	Tumor susceptibility gene 101 protein	Potency	18337.4	nM	None
Homo sapiens	Tumor susceptibility gene 101 protein	Potency	31622.8	nM	None
Homo sapiens	Tumor susceptibility gene 101 protein	Potency	56234.1	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	Tyrosyl-DNA phosphodiesterase 1	Potency	316.2	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	2561.3	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	4554.7	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	14581.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	23715.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	26608.6	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	28183.8	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29092.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	33498.3	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	56234.1	nM	None
Homo sapiens	U-251	GI50	43251.38	nM	None
Homo sapiens	UACC-257	GI50	39264.49	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	22387.2	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	28183.8	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	31622.8	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	56234.1	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	Potency	7943.3	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	Potency	11220.2	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	Potency	14689.2	nM	None
Homo sapiens	UO-31	GI50	33036.95	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	30000.0	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
Human herpesvirus 8	ORF 73	AC50	8866.0	nM	None
Influenza A virus	Nonstructural protein 1	Potency	15848.9	nM	None
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	2.81	%	10.6019/CHEMBL4513141
Leishmania donovani	Leishmania donovani	IC50	59450.0	nM	10.6019/CHEMBL3392926
Leishmania donovani	Leishmania donovani	IC50	62020.0	nM	10.6019/CHEMBL3392926
Mus musculus	Indoleamine 2,3-dioxygenase 2	Inhibition	55.0	%	10.1016/j.bmcl.2012.10.010
Mus musculus	L1210	IC50	340.0	nM	10.1021/jm040772w
Mus musculus	L1210	Inhibition	4.0	%	10.1016/s0960-894x(00)00053-6
Mus musculus	L1210	Inhibition	4.0	%	10.1021/jm040772w
Mus musculus	L1210	Inhibition	13.0	%	10.1021/jm040772w
Mus musculus	L1210	Inhibition	80.0	%	10.1021/jm040772w
Mus musculus	L1210	Inhibition	89.0	%	10.1016/s0960-894x(00)00053-6
Mus musculus	L1210	Inhibition	99.0	%	10.1021/jm040772w
Mus musculus	L1210	Reduction	87.0	%	10.1021/jm040772w
Mus musculus	L1210	Reduction	96.0	%	10.1016/s0960-894x(00)00053-6
Mus musculus	L1210	Reduction	96.0	%	10.1021/jm040772w
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	ED50	72.0	mg.kg-1	10.1021/jm00118a004
Mus musculus	Mus musculus	ED50	142.69	umol.kg-1	10.1021/jm00118a004
Mus musculus	Nitric oxide synthase, inducible	IC50	nan	None	None
Mus musculus	Nitric oxide synthase, inducible	Ki	nan	None	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	1412.5	nM	None
Oncorhynchus gorbuscha	Salmon testes DNA	AC50	8587.0	nM	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	6956.0	nM	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	Ki	nan	None	None
Plasmodium falciparum	Plasmodium falciparum	IC50	1300.0	nM	10.6019/CHEMBL3392926
Plasmodium falciparum	Plasmodium falciparum	IC50	1995.26	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	2511.89	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	3162.28	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	3981.07	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	7943.28	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	64000.0	nM	10.1021/jm1014617
Plasmodium falciparum	Plasmodium falciparum	permeability	nan	None	10.1021/jm1014617
Plasmodium falciparum	Plasmodium falciparum	Potency	2078.7	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	2133.1	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	2685.5	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	3294.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	9285.0	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	10417.9	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	9.85	%	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	1400.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	AC50	30000.0	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	Inositol monophosphatase 1	Potency	11220.2	nM	None
Rattus norvegicus	Inositol monophosphatase 1	Potency	28183.8	nM	None
Rattus norvegicus	Insulin receptor	IC50	nan	None	None
Rattus norvegicus	Insulin receptor	Ki	nan	None	None
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	15848.9	nM	None
Rattus norvegicus	Nitric-oxide synthase, brain	IC50	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	Ki	nan	None	None
Rattus norvegicus	Peripheral myelin protein 22	Potency	10181.5	nM	None
Rattus norvegicus	Peripheral myelin protein 22	Potency	17769.3	nM	None
Rattus norvegicus	Rattus norvegicus	ALB	36000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	37300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	38000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	38200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	39000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	40300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	276.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	320.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	332.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	369.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	370.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	406.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	35.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	36.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	38.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	40.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	42.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	46.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	55.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	56.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	57.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	63.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	65.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	71.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	3.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	4.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	4.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	5.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	5.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	133.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	150.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	156.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	163.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	168.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	98.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	99.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	99.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	571.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	643.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	703.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	710.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	720.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	756.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	127.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	130.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	136.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	140.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	146.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	229.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	5.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	5.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	5.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	6.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.17	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1486.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1580.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1633.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1636.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1735.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2070.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	37.08	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	37.2	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	37.62	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	38.13	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	39.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	39.77	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	144700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	148200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	150000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	156000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	157000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	83.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	87.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	87.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	88.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	90.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	90.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.0	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.2	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.23	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.48	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.25	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	389000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	393300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	395000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	395300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	399700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	400500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	57.45	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	58.8	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	58.97	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.45	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.57	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.65	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	8.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	9.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.83	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	12.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	15.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	95.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	100.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	103.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	113.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	116.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	116.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1042830.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1074830.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1166330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1171500.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1245330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1406000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.6	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.03	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.2	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.23	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.27	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	57700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	65700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6120000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6250000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6340000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6470000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6750000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6790000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.83	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	10800.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	11180.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	11870.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	12430.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	12470.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	12600.0	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	Thioredoxin reductase 1, cytoplasmic	Potency	31622.8	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	42284.1	nM	None
Rattus norvegicus	Voltage-gated L-type calcium channel alpha-1C subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	25929.0	nM	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	-1.034	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.178	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	0.24	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	10.45	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	0.08583	None	10.1101/2020.04.03.023846
Staphylococcus aureus	Quinolone resistance protein norA	Inhibition	42.3	%	10.1021/ml200293c
Staphylococcus aureus	Staphylococcus aureus	Inhibition	-23.93	%	10.6019/CHEMBL4513141
Sus scrofa	Phosphodiesterase 3A	IC50	44000.0	nM	10.1021/jm9905054
Sus scrofa	Phosphodiesterase 3A	IC50	100000.0	nM	10.1021/jm00076a003
Sus scrofa	Phosphodiesterase 4A	IC50	5270.0	nM	10.1021/jm9905054
Sus scrofa	Phosphodiesterase 4A	IC50	6400.0	nM	10.1021/jm00076a003
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	7450.0	nM	10.6019/CHEMBL3392926
Trypanosoma cruzi	Trypanosoma cruzi	IC50	29330.0	nM	10.6019/CHEMBL3392926
None	ADMET	Biotransformation	nan	None	10.1038/s41586-019-1291-3
None	ADMET	log10(%HIA +10)	1.833	None	10.1016/j.ejmech.2010.11.005
None	ADMET	Papp	4.2	ucm/s	10.1124/dmd.110.034629
None	ADMET	Papp	8.9	ucm/s	10.1124/dmd.110.034629
None	ADMET	Papp	14.3	ucm/s	10.1124/dmd.110.034629
None	ADMET	Papp	18.5	ucm/s	10.1124/dmd.110.034629
None	ADMET	Papp	18.7	ucm/s	10.1124/dmd.110.034629
None	ADMET	Papp	20.6	ucm/s	10.1124/dmd.110.034629
None	ADMET	permeability	nan	None	10.1021/jm1014617
None	ADMET	Ratio	0.005	None	10.1021/jm2001629
None	ADMET	Ratio	0.01	None	10.1021/jm2001629
None	ADMET	Ratio	0.02	None	10.1021/jm2001629
None	ADMET	Ratio	0.1	None	10.1021/jm2001629
None	ADMET	Ratio	0.15	None	10.1021/jm2001629
None	ADMET	Ratio	1.0	None	10.1124/dmd.110.034629
None	ADMET	Ratio	1.4	None	10.1124/dmd.110.034629
None	ADMET	Ratio	2.1	None	10.1124/dmd.110.034629
None	ADMET	Ratio	3.7	None	10.1124/dmd.110.034629
None	ADMET	Ratio	6.0	None	10.1124/dmd.110.034629
None	ADMET	Ratio	44.0	None	10.1124/dmd.110.034629
None	ADMET	Ratio	73.0	None	10.1124/dmd.110.034629
None	ADMET	Ratio	75.0	None	10.1124/dmd.110.034629
None	ADMET	Ratio	244.0	None	10.1124/dmd.110.034629
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	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cirrhosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_Combined Scores	2.0	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	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	0.0	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	NON-PROTEIN TARGET	Activity	1.472	None	10.1016/j.ejmech.2012.08.020
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)	0.0	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	1.0	None	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	38640.0	nM	10.6019/CHEMBL3392926
None	NON-PROTEIN TARGET	IC50	59450.0	nM	10.6019/CHEMBL3392926
None	NON-PROTEIN TARGET	Inhibition	nan	%	10.1016/j.ejmech.2012.08.020
None	NON-PROTEIN TARGET	Potency	1995.3	nM	None
None	NON-PROTEIN TARGET	Potency	2818.4	nM	None
None	NON-PROTEIN TARGET	Potency	3548.1	nM	None
None	NON-PROTEIN TARGET	Potency	3981.1	nM	None
None	NON-PROTEIN TARGET	Potency	6309.6	nM	None
None	NON-PROTEIN TARGET	Potency	7492.9	nM	None
None	NON-PROTEIN TARGET	Potency	7943.3	nM	None
None	No relevant target	LogD7.4	3.97	None	10.6019/CHEMBL3301361
None	No relevant target	Solubility	3.46	ug.mL-1	10.1016/j.bmc.2010.08.003
None	Unchecked	Ac50	5.012	uM	None
None	Unchecked	Ac50	25.12	uM	None
None	Unchecked	Ac50	31.62	uM	None
None	Unchecked	Ac50	39.81	uM	None
None	Unchecked	AC50	5020.0	nM	None
None	Unchecked	AC50	25118.9	nM	None
None	Unchecked	AC50	31622.8	nM	None
None	Unchecked	AC50	39810.7	nM	None
None	Unchecked	Hepatotoxicity (acute)	0.0	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)	0.0	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)	0.0	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)	0.0	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	15.0	nM	10.1021/jm101493z
None	Unchecked	IC50	83.0	nM	None
None	Unchecked	IC50	382.0	nM	None
None	Unchecked	IC50	1579.0	nM	None
None	Unchecked	IC50	3800.0	nM	10.1021/jm2001629
None	Unchecked	IC50	10000.0	nM	10.1016/j.bmc.2013.03.031
None	Unchecked	IC50	30000.0	nM	10.1016/j.bmc.2013.03.031
None	Unchecked	IC50	72000.0	nM	10.1021/jm201148s
None	Unchecked	IC50	74500.0	nM	10.1021/jm9905054
None	Unchecked	IC50	nan	None	None
None	Unchecked	Imax	26.0	%	10.1016/j.bmc.2013.03.031
None	Unchecked	Imax	261.0	%	10.1016/j.bmc.2013.03.031
None	Unchecked	Inhibition	50.0	%	10.1021/jm201148s
None	Unchecked	Inhibition	78.0	%	10.1021/jm101493z
None	Unchecked	Inhibition	90.0	%	10.1021/ml200293c
None	Unchecked	Inhibition	96.0	%	10.1021/jm101493z
None	Unchecked	Inhibition	nan	%	10.1016/j.ejmech.2012.08.020
None	Unchecked	Inhibition	nan	%	10.1021/jm1014617
None	Unchecked	Inhibition	nan	%	10.1021/jm101493z
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873
None	Unchecked	Ki	29.0	nM	None
None	Unchecked	Ki	311.0	nM	None
None	Unchecked	Ki	9000.0	nM	10.1021/jm040217u
None	Unchecked	Ki	nan	None	None
None	Unchecked	Potency	10.3	nM	None
None	Unchecked	Potency	20.6	nM	None
None	Unchecked	Potency	316.2	nM	None
None	Unchecked	Potency	3981.1	nM	None
None	Unchecked	Potency	4466.8	nM	None
None	Unchecked	Potency	5011.9	nM	None
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Potency	7943.3	nM	None
None	Unchecked	Potency	10000.0	nM	None
None	Unchecked	Potency	11220.2	nM	None
None	Unchecked	Potency	12589.3	nM	None
None	Unchecked	Potency	14125.4	nM	None
None	Unchecked	Potency	15848.9	nM	None
None	Unchecked	Potency	22387.2	nM	None
None	Unchecked	Potency	23109.3	nM	None
None	Unchecked	Potency	25118.9	nM	None
None	Unchecked	Potency	31622.8	nM	None
None	Unchecked	Potency	35481.3	nM	None
None	Unchecked	Ratio	0.137	None	10.1093/toxsci/kft176
None	Unchecked	Ratio	0.303	None	10.1093/toxsci/kft176