Molecule

Thioguanine; (SH,9H)-form

AlkaPlorer ID: AK062440

Synonym: None

IUPAC Name: 2-amino-3,7-dihydropurine-6-thione

Structure

SMILES: NC1=NC(=S)C2=C(N=CN2)N1

InChI: InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-N

Reference

Characterization of steroidal glycosides from the extract of Paris Polyphylla var. Yunnanensis by UPLC/Q-TOF MSE

PubChem CID: 2723601

CAS: 154-42-7

LOTUS: LTS0219478

NPASS: NPC51000

COCONUT: CNP0339726

{

NPAtlas: NPA015811

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Erwinia amylovora	Erwinia	Erwiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Pseudomonas sp.	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 167.19700000000003

TPSA？: 83.38

MolLogP？: 0.5976899999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agaricus bisporus	Tyrosinase	Ki	52000.0	nM	10.1016/j.ejmech.2020.112275
Bacillus anthracis	Bacillus anthracis	Activity	nan	None	10.1128/aac.01029-10
Bacillus anthracis	Bacillus anthracis	IC50	2000.0	nM	10.1128/aac.01029-10
Bacillus anthracis	Bacillus anthracis	IC50	nan	None	10.1128/aac.01029-10
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
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
Chlorocebus sabaeus	Vero C1008	CC50	35500.0	nM	10.1021/acs.jmedchem.2c00303
Cricetulus griseus	CHO	Potency	7079.5	nM	None
Escherichia coli (strain K12)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Inhibition	51.0	%	10.1016/j.bmc.2014.02.022
Escherichia coli (strain K12)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Kd	18000.0	nM	10.1016/j.bmc.2014.02.022
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	3154.8	nM	None
Helicobacter pylori	Helicobacter pylori	Activity	nan	None	10.1021/acs.jmedchem.0c02184
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	35481.3	nM	None
Homo sapiens	786-0	GI50	796.16	nM	None
Homo sapiens	786-0	GI50	1584.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	A498	GI50	6683.44	nM	None
Homo sapiens	A498	GI50	6760.83	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	A498	GI50	25118.86	nM	10.1007/s00044-012-0231-7
Homo sapiens	A498	TGI	95499.26	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	A549	GI50	3548.13	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	A549	GI50	3548.13	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	A549	GI50	3630.78	nM	None
Homo sapiens	A549	GI50	5011.87	nM	10.1007/s00044-012-0231-7
Homo sapiens	A549	IC50	2820.0	nM	10.1016/j.ejmech.2010.05.003
Homo sapiens	A549	TGI	104712.85	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	ACHN	GI50	1862.09	nM	None
Homo sapiens	ACHN	GI50	1949.84	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	ACHN	GI50	3981.07	nM	10.1007/s00044-012-0231-7
Homo sapiens	ACHN	TGI	112201.85	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Adenosine A1 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A1 receptor	Ki	nan	None	None
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	21687.0	nM	None
Homo sapiens	Adenosine A3 receptor	Ki	12258.0	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	39810.7	nM	None
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	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	IC50	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	Ki	nan	None	None
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
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	Apoptosis regulator Bcl-2	GI50	147000.0	nM	10.1021/jm060968r
Homo sapiens	Apoptosis regulator Bcl-X	GI50	183000.0	nM	10.1021/jm060968r
Homo sapiens	Ataxin-2	Potency	6309.6	nM	None
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	IC50	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Bradykinin B2 receptor	IC50	nan	None	None
Homo sapiens	Bradykinin B2 receptor	Ki	nan	None	None
Homo sapiens	BT-549	GI50	1258.93	nM	10.1007/s00044-012-0231-7
Homo sapiens	BT-549	GI50	3040.89	nM	None
Homo sapiens	BT-549	GI50	3630.78	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	BT-549	TGI	162181.01	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Caco-2	CC50	2210.0	nM	10.21203/rs.3.rs-23951/v1
Homo sapiens	CAKI-1	GI50	316.23	nM	10.1007/s00044-012-0231-7
Homo sapiens	CAKI-1	GI50	537.03	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	CAKI-1	GI50	620.87	nM	None
Homo sapiens	CAKI-1	TGI	15848.93	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Calcitonin receptor	IC50	nan	None	None
Homo sapiens	Calcitonin receptor	Ki	nan	None	None
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	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	Activity	0.43	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	1.21	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	7.19	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	9.95	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	11.27	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	18.69	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	19.82	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	35.32	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	43.42	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	43.58	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	45.84	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	46.47	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	48.93	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	Activity	49.39	%	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	EC50	870.1	nM	10.1021/jm9005059
Homo sapiens	CCRF-CEM	GI50	154.88	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	CCRF-CEM	GI50	169.43	nM	None
Homo sapiens	CCRF-CEM	GI50	316.23	nM	10.1007/s00044-012-0231-7
Homo sapiens	CCRF-CEM	IC50	2980.0	nM	10.1016/j.ejmech.2010.05.003
Homo sapiens	CCRF-CEM	TGI	25703.96	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Cellular tumor antigen p53	Potency	3981.1	nM	None
Homo sapiens	Cholecystokinin A receptor	IC50	nan	None	None
Homo sapiens	Cholecystokinin A receptor	Ki	nan	None	None
Homo sapiens	COLO 205	GI50	1698.24	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	COLO 205	GI50	1745.82	nM	None
Homo sapiens	COLO 205	GI50	2511.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	COLO 205	TGI	8912.51	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Cyclooxygenase-1	AC50	810.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	AC50	1320.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	IC50	601.0	nM	None
Homo sapiens	Cyclooxygenase-1	Ki	nan	None	None
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	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	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	FC	1.0	None	10.1016/j.bmcl.2016.06.088
Homo sapiens	Cytochrome P450 2C9	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2D6	FC	1.0	None	10.1016/j.bmcl.2016.06.088
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 3A4	FC	1.0	None	10.1016/j.bmcl.2016.06.088
Homo sapiens	Cytochrome P450 3A4	IC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	DAN-G	IC50	4320.0	nM	10.1124/dmd.110.033613
Homo sapiens	Delta opioid receptor	IC50	nan	None	None
Homo sapiens	Delta opioid receptor	Ki	nan	None	None
Homo sapiens	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Activity	nan	None	None
Homo sapiens	DLD-1	GI50	961.61	nM	None
Homo sapiens	DMS-114	GI50	849.18	nM	None
Homo sapiens	DMS-273	GI50	444.63	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	11.2	nM	None
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D1 receptor	Activity	0.2	%	10.1021/jm400813y
Homo sapiens	Dopamine D1 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	Inhibition	2.3	%	10.1021/jm400813y
Homo sapiens	Dopamine D1 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D2 receptor	Activity	0.61	%	10.1021/jm400813y
Homo sapiens	Dopamine D2 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D2 receptor	Inhibition	21.0	%	10.1021/jm400813y
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	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	DU-145	GI50	776.25	nM	None
Homo sapiens	DU-145	GI50	794.33	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	DU-145	TGI	134896.29	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	EKVX	GI50	1905.46	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	EKVX	GI50	2027.68	nM	None
Homo sapiens	EKVX	GI50	3981.07	nM	10.1007/s00044-012-0231-7
Homo sapiens	EKVX	TGI	123026.88	nM	10.1016/j.ejmech.2006.10.012
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	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	Geminin	Potency	1299.5	nM	None
Homo sapiens	Glucocorticoid receptor	IC50	nan	None	None
Homo sapiens	Glucocorticoid receptor	Ki	nan	None	None
Homo sapiens	Glutaminase kidney isoform, mitochondrial	Potency	39810.7	nM	None
Homo sapiens	HCC 2998	GI50	957.19	nM	None
Homo sapiens	HCC 2998	GI50	1000.0	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HCC 2998	TGI	18197.01	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HCT-116	GI50	537.03	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HCT-116	GI50	538.27	nM	None
Homo sapiens	HCT-116	GI50	630.96	nM	10.1007/s00044-012-0231-7
Homo sapiens	HCT-116	TGI	16218.1	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HCT-15	GI50	1078.95	nM	None
Homo sapiens	HCT-15	GI50	1096.48	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HCT-15	GI50	2511.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	HCT-15	TGI	51286.14	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HEK-293T	EC50	3600.0	nM	10.1021/acs.jmedchem.2c01010
Homo sapiens	Hemoglobin beta chain	Potency	1122.02	nM	None
Homo sapiens	Hemoglobin beta chain	Potency	5011.9	nM	None
Homo sapiens	Hemoglobin beta chain	Potency	31622.8	nM	None
Homo sapiens	HepG2	Potency	1412.5	nM	None
Homo sapiens	HERG	IC50	nan	None	None
Homo sapiens	HERG	Ki	nan	None	None
Homo sapiens	Histamine H1 receptor	IC50	nan	None	None
Homo sapiens	Histamine H1 receptor	Ki	nan	None	None
Homo sapiens	Histamine H2 receptor	IC50	nan	None	None
Homo sapiens	Histamine H2 receptor	Ki	nan	None	None
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase 6	Inhibition	-19.22	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-5.7	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	2238.7	nM	None
Homo sapiens	HL-60	EC50	3897.0	nM	10.1021/jm9005059
Homo sapiens	HL-60	GI50	1111.73	nM	None
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
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	HOP-18	GI50	5636.38	nM	None
Homo sapiens	HOP-62	GI50	741.31	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HOP-62	GI50	779.83	nM	None
Homo sapiens	HOP-62	GI50	794.33	nM	10.1007/s00044-012-0231-7
Homo sapiens	HOP-62	TGI	28840.32	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HOP-92	GI50	741.31	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HOP-92	GI50	818.46	nM	None
Homo sapiens	HOP-92	GI50	1584.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	HOP-92	TGI	23988.33	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Hs-578T	GI50	6280.58	nM	None
Homo sapiens	Hs-578T	GI50	6309.57	nM	10.1007/s00044-012-0231-7
Homo sapiens	Hs-578T	GI50	7413.1	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Hs-578T	TGI	181970.09	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HT-29	Activity	nan	None	10.1021/np50063a010
Homo sapiens	HT-29	GI50	1129.8	nM	None
Homo sapiens	HT-29	GI50	1148.15	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	HT-29	GI50	1258.93	nM	10.1007/s00044-012-0231-7
Homo sapiens	HT-29	IC50	1240.0	nM	10.1021/np50063a010
Homo sapiens	HT-29	TGI	104712.85	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Hypoxanthine-guanine phosphoribosyltransferase	Km	1700.0	nM	10.1021/jm061012j
Homo sapiens	Hypoxanthine-guanine phosphoribosyltransferase	Km	5900.0	nM	10.1021/jm061012j
Homo sapiens	IGROV-1	GI50	4786.3	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	IGROV-1	GI50	4852.89	nM	None
Homo sapiens	IGROV-1	GI50	6309.57	nM	10.1007/s00044-012-0231-7
Homo sapiens	IGROV-1	TGI	144543.98	nM	10.1016/j.ejmech.2006.10.012
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	2310.9	nM	None
Homo sapiens	Jurkat	GI50	13000.0	nM	10.1021/jm060968r
Homo sapiens	K562	Activity	15.0	%	10.1021/acs.jmedchem.2c01010
Homo sapiens	K562	EC50	740.0	nM	10.1021/acs.jmedchem.2c01010
Homo sapiens	K562	GI50	194.98	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	K562	GI50	384.59	nM	None
Homo sapiens	K562	GI50	407.38	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	K562	GI50	100000.0	nM	10.1007/s00044-012-0231-7
Homo sapiens	K562	IC50	1540.0	nM	10.1016/j.ejmech.2010.05.003
Homo sapiens	K562	IC50	3900.0	nM	10.1016/j.ejmech.2010.05.003
Homo sapiens	K562	TGI	70794.58	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Kappa opioid receptor	IC50	nan	None	None
Homo sapiens	Kappa opioid receptor	Ki	nan	None	None
Homo sapiens	KM12	GI50	1713.96	nM	None
Homo sapiens	KM12	GI50	1737.8	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	KM12	GI50	3162.28	nM	10.1007/s00044-012-0231-7
Homo sapiens	KM12	TGI	31622.78	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	KM-20L2	GI50	781.63	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	206.54	nM	None
Homo sapiens	LOX IMVI	GI50	208.93	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	LOX IMVI	TGI	9120.11	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	LXFL 529	GI50	8452.79	nM	None
Homo sapiens	Lysine-specific demethylase 4A	Potency	5623.4	nM	None
Homo sapiens	M14	GI50	559.76	nM	None
Homo sapiens	M14	GI50	588.84	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	M14	GI50	630.96	nM	10.1007/s00044-012-0231-7
Homo sapiens	M14	TGI	14454.4	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	M19-MEL	GI50	9817.48	nM	None
Homo sapiens	Malme-3M	GI50	1276.44	nM	None
Homo sapiens	Malme-3M	GI50	3162.28	nM	10.1007/s00044-012-0231-7
Homo sapiens	MAP kinase ERK1	IC50	5516.0	nM	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	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	MCF7	GI50	701.46	nM	None
Homo sapiens	MCF7	GI50	707.95	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MCF7	TGI	42657.95	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MDA-MB-231	GI50	1949.84	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MDA-MB-231	GI50	2506.11	nM	None
Homo sapiens	MDA-MB-231	TGI	165958.69	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MDA-MB-435	GI50	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	MDA-MB-435	GI50	851.14	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MDA-MB-435	GI50	851.14	nM	None
Homo sapiens	MDA-MB-435	TGI	32359.37	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MDA-N	GI50	1009.25	nM	None
Homo sapiens	Melanocortin receptor 3	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 3	Ki	nan	None	None
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	268.53	nM	None
Homo sapiens	MOLT-4	GI50	269.15	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	MOLT-4	GI50	9120.11	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	MOLT-4	TGI	15488.17	nM	10.1016/j.ejmech.2006.10.012
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	1412.5	nM	None
Homo sapiens	Multidrug resistance-associated protein 4	Activity	53.0	%	10.1016/s1357-2725(03)00236-x
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	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	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	NCI/ADR-RES	GI50	398.11	nM	10.1007/s00044-012-0231-7
Homo sapiens	NCI/ADR-RES	GI50	671.43	nM	None
Homo sapiens	NCI-H226	GI50	4073.8	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H226	GI50	4405.55	nM	None
Homo sapiens	NCI-H226	TGI	97723.72	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H23	GI50	1071.52	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H23	GI50	1096.48	nM	None
Homo sapiens	NCI-H23	GI50	3162.28	nM	10.1007/s00044-012-0231-7
Homo sapiens	NCI-H23	TGI	22908.68	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H322M	GI50	7413.1	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H322M	GI50	9204.5	nM	None
Homo sapiens	NCI-H322M	TGI	223872.11	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H460	GI50	623.73	nM	None
Homo sapiens	NCI-H460	GI50	676.08	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H460	GI50	1000.0	nM	10.1007/s00044-012-0231-7
Homo sapiens	NCI-H460	TGI	19952.62	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H522	GI50	895.36	nM	None
Homo sapiens	NCI-H522	GI50	912.01	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	NCI-H522	GI50	1995.26	nM	10.1007/s00044-012-0231-7
Homo sapiens	NCI-H522	TGI	6309.57	nM	10.1016/j.ejmech.2006.10.012
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 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	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	2059.6	nM	None
Homo sapiens	OVCAR-3	GI50	707.95	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-3	GI50	767.36	nM	None
Homo sapiens	OVCAR-3	GI50	1584.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	OVCAR-3	TGI	6760.83	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-4	GI50	1448.77	nM	None
Homo sapiens	OVCAR-4	GI50	1513.56	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-4	GI50	5011.87	nM	10.1007/s00044-012-0231-7
Homo sapiens	OVCAR-4	TGI	100000.0	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-5	GI50	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	OVCAR-5	GI50	660.69	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-5	GI50	691.83	nM	None
Homo sapiens	OVCAR-5	TGI	47863.01	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-8	GI50	398.11	nM	10.1007/s00044-012-0231-7
Homo sapiens	OVCAR-8	GI50	687.07	nM	None
Homo sapiens	OVCAR-8	GI50	691.83	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	OVCAR-8	TGI	60255.96	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Paired box protein Pax-8	AC50	260.0	nM	None
Homo sapiens	Paired box protein Pax-8	AC50	1180.0	nM	None
Homo sapiens	PC-3	GI50	1778.28	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	PC-3	GI50	1923.09	nM	None
Homo sapiens	PC-3	GI50	3162.28	nM	10.1007/s00044-012-0231-7
Homo sapiens	PC-3	TGI	173780.08	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	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	Platelet activating factor receptor	IC50	nan	None	None
Homo sapiens	Platelet activating factor receptor	Ki	nan	None	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	Regulator of G-protein signaling 4	Potency	50118.7	nM	None
Homo sapiens	RPMI-8226	GI50	398.11	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	RPMI-8226	GI50	437.52	nM	None
Homo sapiens	RPMI-8226	TGI	20892.96	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	RXF 393	GI50	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	RXF 393	GI50	758.58	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	RXF 393	GI50	758.58	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	RXF 393	GI50	864.97	nM	None
Homo sapiens	RXF 393	TGI	7079.46	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	RXF 631	GI50	527.23	nM	None
Homo sapiens	Serine/threonine-protein kinase PAK 1	Inhibition	31.0	%	10.1021/jm701021b
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	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	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	IC50	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	nan	None	None
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	1093.96	nM	None
Homo sapiens	SF-268	GI50	1148.15	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SF-268	GI50	1258.93	nM	10.1007/s00044-012-0231-7
Homo sapiens	SF-268	TGI	158489.32	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SF-295	GI50	1023.29	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SF-295	GI50	1076.47	nM	None
Homo sapiens	SF-295	GI50	1258.93	nM	10.1007/s00044-012-0231-7
Homo sapiens	SF-295	TGI	158489.32	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SF-539	GI50	630.96	nM	10.1007/s00044-012-0231-7
Homo sapiens	SF-539	GI50	1023.29	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SF-539	GI50	1051.96	nM	None
Homo sapiens	SF-539	TGI	69183.1	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	SK-BR-3	Activity	40.0	%	10.1021/acs.jmedchem.2c01010
Homo sapiens	SK-BR-3	EC50	nan	None	10.1021/acs.jmedchem.2c01010
Homo sapiens	SK-MEL-2	GI50	933.25	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-MEL-2	GI50	1004.62	nM	None
Homo sapiens	SK-MEL-2	GI50	1584.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	SK-MEL-2	TGI	10715.19	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-MEL-28	GI50	6309.57	nM	10.1007/s00044-012-0231-7
Homo sapiens	SK-MEL-28	GI50	8912.51	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-MEL-28	GI50	9397.23	nM	None
Homo sapiens	SK-MEL-28	TGI	154881.66	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-MEL-5	GI50	2511.89	nM	10.1007/s00044-012-0231-7
Homo sapiens	SK-MEL-5	GI50	3499.45	nM	None
Homo sapiens	SK-MEL-5	GI50	3548.13	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-MEL-5	TGI	16595.87	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-OV-3	GI50	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	SK-OV-3	GI50	548.28	nM	None
Homo sapiens	SK-OV-3	GI50	549.54	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SK-OV-3	TGI	16595.87	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SN12C	GI50	1258.93	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SN12C	GI50	1309.18	nM	None
Homo sapiens	SN12C	GI50	7943.28	nM	10.1007/s00044-012-0231-7
Homo sapiens	SN12C	TGI	173780.08	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SN12K1	GI50	281.19	nM	None
Homo sapiens	SNB-19	GI50	76913.04	nM	None
Homo sapiens	SNB-19	GI50	79432.82	nM	10.1007/s00044-012-0231-7
Homo sapiens	SNB-19	GI50	79432.82	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SNB-19	TGI	245470.89	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SNB-75	GI50	1000.0	nM	10.1007/s00044-012-0231-7
Homo sapiens	SNB-75	GI50	1445.44	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SNB-75	GI50	1482.52	nM	None
Homo sapiens	SNB-75	TGI	41686.94	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SNB-78	GI50	2228.44	nM	None
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	108.66	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	107.95	%	10.1124/mol.112.084152
Homo sapiens	SR	GI50	181.55	nM	None
Homo sapiens	SR	GI50	630.96	nM	10.1007/s00044-012-0231-7
Homo sapiens	SR	GI50	1621.81	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	Survival motor neuron protein	Potency	7079.5	nM	None
Homo sapiens	SW-620	GI50	1448.77	nM	None
Homo sapiens	SW-620	GI50	3981.07	nM	10.1007/s00044-012-0231-7
Homo sapiens	SW-620	GI50	18620.87	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	SW-620	TGI	63095.73	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	T47D	GI50	2041.74	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	T47D	GI50	2065.38	nM	None
Homo sapiens	T47D	GI50	10000.0	nM	10.1007/s00044-012-0231-7
Homo sapiens	T47D	TGI	107151.93	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	THP-1	EC50	270.0	nM	10.1021/acs.jmedchem.2c01010
Homo sapiens	THP-1	Ratio IC50	1.0	None	None
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
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	TK-10	GI50	501.19	nM	10.1007/s00044-012-0231-7
Homo sapiens	TK-10	GI50	961.61	nM	None
Homo sapiens	TK-10	GI50	1047.13	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	TK-10	TGI	79432.82	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Transcriptional regulator ERG	Potency	39810.7	nM	None
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	1158.2	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	1835.6	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	1883.7	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	2113.6	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	2592.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	2660.9	nM	None
Homo sapiens	U-251	GI50	4897.79	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	U-251	GI50	5116.82	nM	None
Homo sapiens	U-251	GI50	10000.0	nM	10.1007/s00044-012-0231-7
Homo sapiens	U-251	TGI	239883.29	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	UACC-257	GI50	1995.26	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	UACC-257	GI50	2103.78	nM	None
Homo sapiens	UACC-257	GI50	6309.57	nM	10.1007/s00044-012-0231-7
Homo sapiens	UACC-257	TGI	97723.72	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	UACC-62	GI50	398.11	nM	10.1007/s00044-012-0231-7
Homo sapiens	UACC-62	GI50	501.19	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	UACC-62	GI50	537.03	nM	None
Homo sapiens	UACC-62	TGI	4570.88	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	IC50	42000.0	nM	10.1016/j.ejmech.2020.112107
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	Kis	24.6	uM	10.1016/j.ejmech.2020.112107
Homo sapiens	UO-31	GI50	794.33	nM	10.1007/s00044-012-0231-7
Homo sapiens	UO-31	GI50	1479.11	nM	10.1016/j.ejmech.2006.10.012
Homo sapiens	UO-31	GI50	1479.11	nM	10.1016/j.ejmech.2018.03.076
Homo sapiens	UO-31	GI50	1563.15	nM	None
Homo sapiens	UO-31	TGI	32359.37	nM	10.1016/j.ejmech.2006.10.012
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	IC50	nan	None	None
Homo sapiens	Vasopressin V1a receptor	Ki	nan	None	None
Homo sapiens	Xanthine dehydrogenase	IC50	92420.0	nM	10.1016/j.bmc.2007.03.010
Homo sapiens	XF498	GI50	1093.96	nM	None
Mus musculus	B16-F10	Inhibition	57.0	%	10.1016/j.ejmech.2020.112275
Mus musculus	EMT6	Surviving factor	67.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	70.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	78.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	89.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	90.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	95.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	106.0	%	10.1021/jm00160a043
Mus musculus	EMT6	Surviving factor	107.0	%	10.1021/jm00160a043
Mus musculus	J774.A1	Activity	nan	None	10.1128/aac.01029-10
Mus musculus	L1210	ID50	2.68e-12	M	10.1021/jm00134a008
Mus musculus	L1210	ID50	0.07	uM	10.1021/jm00158a005
Mus musculus	L1210	Median survival time	10.0	day	10.1021/jm00134a008
Mus musculus	L1210	Median survival time	12.0	day	10.1021/jm00134a008
Mus musculus	L1210	Median survival time	30.0	day	10.1021/jm00134a008
Mus musculus	L1210	Median survival time	nan	None	10.1021/jm00134a008
Mus musculus	L1210	T/C	111.0	%	10.1021/jm00134a008
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	T/C	100.0	%	10.1021/jm00134a008
Mus musculus	Mus musculus	T/C	120.0	%	10.1021/jm00134a008
Mus musculus	Mus musculus	T/C	300.0	%	10.1021/jm00134a008
Mus musculus	Nitric oxide synthase, inducible	IC50	nan	None	None
Mus musculus	Nitric oxide synthase, inducible	Ki	nan	None	None
Mus musculus	P388	GI50	76.21	nM	None
Mus musculus	P388	IC50	300.0	nM	10.1021/np50063a010
Mus musculus	P388	IZ	40.0	mm	10.1021/np50063a010
Mus musculus	P388/ADR	GI50	180.72	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	16159.0	nM	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	Ki	nan	None	None
Photinus pyralis	Luciferin 4-monooxygenase	Potency	40533.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	IC50	10000.0	nM	10.1021/jm061012j
Plasmodium falciparum	Plasmodium falciparum	IC50	21300.0	nM	10.1021/jm061012j
Plasmodium falciparum	Plasmodium falciparum	Potency	8275.3	nM	None
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	IC50	nan	None	None
Rattus norvegicus	Androgen Receptor	Ki	nan	None	None
Rattus norvegicus	GABA receptor alpha-1 subunit	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	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	Rattus norvegicus	ALB	30300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	35000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	38000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	39000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	39300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	39700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	46700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	125.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	205.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	234.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	261.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	266.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	284.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	302.75	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	317.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	347.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	402.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	442.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	631.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	25.25	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	35.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	38.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	41.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	52.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	56.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	62.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	76.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	76.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	93.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	127.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	335.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	71.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	81.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	81.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	89.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	92.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	93.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	97.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	116.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	122.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	152.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	290.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	551.67	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	1.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	3.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	107.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	110.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	123.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	140.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	143.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	146.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	147.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	160.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	166.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	210.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	350.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	97.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	98.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	98.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	98.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	99.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	101.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	101.83	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	103.25	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	104.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	104.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	466.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	546.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	560.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	575.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	580.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	603.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	660.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	671.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	686.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	721.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	732.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	748.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	115.25	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	216.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	284.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	305.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	312.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	417.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	448.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	539.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	659.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	1296.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	1322.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	4333.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	16000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	17670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	18670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	23000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	25000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	25330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	25500000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	26000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	26400000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	29000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31170000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.1	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.6	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.9	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.1	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.9	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	3.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	3.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ED50	10.0	mg kg-1 (day in diet)-1	10.1021/jm00127a013
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	14.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	33.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	36.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	46.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	52.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	53.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	104.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	331.5	cells.uL-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	0.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	1.83	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1276.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1397.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1420.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1580.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1606.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1641.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1655.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2046.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2110.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2633.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2736.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	3180.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	27.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	29.77	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	31.57	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	31.6	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	32.87	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.22	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.82	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	36.93	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	41.1	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	43.87	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	110000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	117300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	121500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	122000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	129500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	132000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	132700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	133800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	134800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	142700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	159000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	173300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Highest nontoxic dose	10.0	mg kg-1 (day in diet)-1	10.1021/jm00127a013
Rattus norvegicus	Rattus norvegicus	LD50	20.0	mg kg-1 (day in diet)-1	10.1021/jm00127a013
Rattus norvegicus	Rattus norvegicus	LDH	83.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	94.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	115.75	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	155.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	156.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	172.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	198.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	271.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	290.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	349.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	399.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	625.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	6.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	6.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	8.75	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	11.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	11.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	23.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	85.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	778.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	1200.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	1995.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	4136.25	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	4257.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	6455.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	7006.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	9048.5	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	9629.83	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	13841.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	14547.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	15021.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	8.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	50.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	50.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	79.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	86.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	87.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	89.17	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	90.17	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	91.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	95.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	95.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.38	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.72	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.0	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.03	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.17	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.5	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.57	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.87	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	25.05	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	25.17	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	25.28	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	25.97	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	384700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	386000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	386800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	387000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	394000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	394300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	395000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	397300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	397800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	398000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	399200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	405000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.18	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.8	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.82	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.83	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.17	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.23	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.97	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	63.3	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	63.38	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	63.5	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	64.23	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	64.37	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	24.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	25.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	26.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	30.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	72.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	72.5	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	80.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	212.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	292.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	376.5	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	0.83	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.83	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	3.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	4.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	4.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	7.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	9.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	12.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	16.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	47.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	48.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	49.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	89.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	188.75	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	550.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	716.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	725.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1049.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1128.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1147.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1521.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1640.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	3070.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	4229.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	8758.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	81.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	93.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	98.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	101.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	103.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	106.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	115.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	121.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	133.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	135.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	135.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	147.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	877000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	923330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1024330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1060000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1142670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1171330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1202000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1211330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1255000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1274500.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1275330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1721330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.16	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.46	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.65	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.95	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.15	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.24	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.28	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.7	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.72	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	7.13	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	7.31	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	43300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	53700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	55500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	56300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	57200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	61000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	67300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	4290000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	4900000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5080000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5200000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5240000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5350000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5360000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5460000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5490000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5750000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6480000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	7050000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.17	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.25	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.33	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	139.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	139.65	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	139.73	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	141.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	141.53	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	141.63	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.02	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	145.27	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	147.55	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	151.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	151.55	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	6.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	8.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	11.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	11.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	12.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	13.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	14.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	15.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	17.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	28.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	31.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	38.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	2400.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	3170.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	4330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	7230.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	7630.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	8570.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	9800.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	10680.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	10770.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14570.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	16580.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	18800.0	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
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	IC50	100.0	nM	10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	IC50	500.0	nM	10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	IC50	1000.0	nM	10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	IC50	72000.0	nM	10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	75.02	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	EC50	2130.0	nM	10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.2388	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	1710.0	nM	10.21203/rs.3.rs-23951/v1
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	0.07	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	99.92	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	0.8322	None	10.1101/2020.04.03.023846
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	15101.4	nM	None
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	26854.5	nM	None
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	37933.0	nM	None
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)	Putative uncharacterized protein	Potency	14125.4	nM	None
None	ADMET	Selectivity index	1.0	None	10.21203/rs.3.rs-23951/v1
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	2.0	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	1.0	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	5.0	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	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver disease	1.0	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	LTKB_BD DILI severity score	2.0	None	10.1016/j.drudis.2011.05.007
None	Hepatotoxicity	SGOT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Index Value	42.1	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Number of Reports	4.0	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Index Value	42.1	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Number of Reports	4.0	None	10.2174/1570163043334794
None	NON-PROTEIN TARGET	AbsAC35_uM	1.81	uM	None
None	NON-PROTEIN TARGET	AbsAC35_uM	5.79	uM	None
None	NON-PROTEIN TARGET	EC50	941.6	nM	10.1021/jm9005059
None	NON-PROTEIN TARGET	EC50	3649.0	nM	10.1021/jm9005059
None	NON-PROTEIN TARGET	GI50	758.58	nM	10.1016/j.ejmech.2016.06.034
None	NON-PROTEIN TARGET	GI50	831.76	nM	10.1016/j.ejmech.2006.10.012
None	NON-PROTEIN TARGET	GI50	1258.93	nM	10.1007/s00044-012-0231-7
None	NON-PROTEIN TARGET	GI50	1479.11	nM	10.1016/j.ejmech.2016.06.034
None	NON-PROTEIN TARGET	GI50	4897.79	nM	10.1016/j.ejmech.2016.06.034
None	NON-PROTEIN TARGET	GI50	25118.86	nM	10.1007/s00044-012-0231-7
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)	4.0	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)	12.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	24.3	%	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	1280.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	2090.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	2210.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	2260.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	2800.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	3430.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	8310.0	nM	10.1124/dmd.110.033613
None	NON-PROTEIN TARGET	IC50	9470.0	nM	10.1016/j.ejmech.2010.05.003
None	NON-PROTEIN TARGET	Potency	6.0	nM	None
None	NON-PROTEIN TARGET	Potency	33.5	nM	None
None	NON-PROTEIN TARGET	Potency	2111.8	nM	None
None	NON-PROTEIN TARGET	Potency	16774.4	nM	None
None	NON-PROTEIN TARGET	Ratio	0.0	None	10.1021/jm00134a008
None	NON-PROTEIN TARGET	Ratio	4.0	None	10.1021/jm00134a008
None	NON-PROTEIN TARGET	TGI	107151.93	nM	10.1016/j.ejmech.2006.10.012
None	No relevant target	LogP	-0.7	None	10.1016/j.ejmech.2009.12.043
None	Unchecked	AbsAC35	2.5	uM	None
None	Unchecked	AbsAC35_uM	0.814	uM	None
None	Unchecked	Ac50	0.631	uM	None
None	Unchecked	Ac50	0.7079	uM	None
None	Unchecked	Ac50	2.818	uM	None
None	Unchecked	Ac50	12.59	uM	None
None	Unchecked	Ac50	22.39	uM	None
None	Unchecked	Ac50	39.81	uM	None
None	Unchecked	AC50	631.0	nM	None
None	Unchecked	AC50	710.0	nM	None
None	Unchecked	AC50	1990.0	nM	None
None	Unchecked	AC50	2818.4	nM	None
None	Unchecked	AC50	12589.3	nM	None
None	Unchecked	AC50	22387.2	nM	None
None	Unchecked	AC50	39810.7	nM	None
None	Unchecked	Activity	nan	None	10.1021/acs.jmedchem.2c01010
None	Unchecked	Activity	nan	None	10.1021/jm061012j
None	Unchecked	EC50	320.0	nM	None
None	Unchecked	GI50	4897.79	nM	10.1016/j.ejmech.2018.03.076
None	Unchecked	Hepatotoxicity (acute)	7.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (association with vascular disease)	11.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (choleostasis)	3.0	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	49.27	nM	None
None	Unchecked	IC50	108.05	nM	None
None	Unchecked	IC50	138.55	nM	None
None	Unchecked	IC50	163.26	nM	None
None	Unchecked	IC50	343.1	nM	None
None	Unchecked	IC50	372.99	nM	None
None	Unchecked	IC50	402.37	nM	None
None	Unchecked	IC50	622.4	nM	None
None	Unchecked	IC50	1760.0	nM	None
None	Unchecked	IC50	3440.0	nM	None
None	Unchecked	IC50	4400.13	nM	None
None	Unchecked	IC50	5000.0	nM	10.1016/j.bmc.2020.115745
None	Unchecked	IC50	6297.0	nM	None
None	Unchecked	IC50	10000.0	nM	None
None	Unchecked	IC50	25000.0	nM	10.1016/j.ejmech.2021.113218
None	Unchecked	IC50	40000.0	nM	10.1016/j.ejmech.2021.113218
None	Unchecked	IC50	80000.0	nM	None
None	Unchecked	IC50	170000.0	nM	10.1074/jbc.m609304200
None	Unchecked	IC50	nan	None	None
None	Unchecked	Kcat	8.8	/s	10.1021/acs.jmedchem.0c02184
None	Unchecked	Ki	nan	None	None
None	Unchecked	Km	750.0	nM	10.1021/jm061012j
None	Unchecked	Km	1900.0	nM	10.1021/jm061012j
None	Unchecked	Km	3300.0	nM	10.1021/acs.jmedchem.0c02184
None	Unchecked	Max_Activity	26.0	uM	None
None	Unchecked	Potency	158.5	nM	None
None	Unchecked	Potency	1258.9	nM	None
None	Unchecked	Potency	1299.5	nM	None
None	Unchecked	Potency	2818.4	nM	None
None	Unchecked	Potency	3162.3	nM	None
None	Unchecked	Potency	5011.9	nM	None
None	Unchecked	Potency	5623.4	nM	None
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Potency	7079.5	nM	None
None	Unchecked	Potency	10000.0	nM	None
None	Unchecked	Potency	25118.9	nM	None
None	Unchecked	Ratio	0.0	None	10.1021/jm00134a008
None	Unchecked	RatioGI50	11.0	None	10.1021/jm060968r

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT012635	C[33S].N=c1nc(S)c2nc[nH]c2[nH]1>>CSc1nc(=N)[nH]c2[nH]cnc12	None
AKRT014627	C[SAH].N=c1nc(S)c2nc[nH]c2[nH]1>>CSc1nc(=N)[nH]c2[nH]cnc12	enzymemap_27598
AKRT014707	C[SAH].Nc1nc2[nH]cnc2c(=S)[nH]1>>CSc1nc(N)nc2[nH]cnc12	56580
AKRT016765	N=c1nc(S)c2nc[nH]c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>N=c1nc(S)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	enzymemap_39434
AKRT016766	N=c1nc(S)c2nc[nH]c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>N=c1nc(S)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	enzymemap_39427
AKRT021106	Nc1nc(S)c2nc[nH]c2n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>Nc1nc(=S)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	R08245