HYDROXYUREA
AlkaPlorer ID: AK323325
Synonym: None
IUPAC Name: hydroxyurea
Structure
SMILES: NC(=O)NO
InChI: InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 76.05499999999999
TPSA？: 75.35000000000001
MolLogP？: -0.9561000000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| 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 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2005.03.048 |
| Chlorocebus sabaeus | Vero | IC50 | 1000000.0 | nM | 10.1016/j.bmc.2007.09.025 |
| Chlorocebus sabaeus | Vero | LD50 | 10.0 | mM | 10.1016/j.ejmech.2010.05.017 |
| Chlorocebus sabaeus | Vero | Reduction | 26.0 | % | 10.1016/j.bmcl.2005.03.048 |
| Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) | Urease subunit alpha/Urease subunit beta | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2022.114273 |
| Homo sapiens | 786-0 | GI50 | 303389.12 | nM | None |
| Homo sapiens | A498 | GI50 | 693425.81 | nM | None |
| Homo sapiens | A549 | GI50 | 514043.65 | nM | None |
| 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 | 107894.67 | nM | None |
| 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 | nan | None | None |
| Homo sapiens | Adenosine A3 receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-1a adrenergic receptor | AC50 | 10000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | Alpha-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 | 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 | Bile salt export pump | AC50 | 300000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | Bile salt export pump | IC50 | 133000.0 | nM | 10.1093/toxsci/kft176 |
| Homo sapiens | Bloom syndrome protein | Potency | 50118.7 | nM | None |
| Homo sapiens | Bradykinin B2 receptor | IC50 | nan | None | None |
| Homo sapiens | Bradykinin B2 receptor | Ki | nan | None | None |
| Homo sapiens | BT-549 | GI50 | 1655769.96 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 269773.94 | 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 | 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 | IC50 | nan | None | None |
| Homo sapiens | Cannabinoid CB1 receptor | Ki | nan | None | None |
| Homo sapiens | Carbonic anhydrase I | Kinact | nan | None | 10.1016/j.bmcl.2006.12.107 |
| Homo sapiens | Carbonic anhydrase II | IC50 | nan | None | None |
| Homo sapiens | Carbonic anhydrase II | Ki | 28000.0 | nM | 10.1016/j.bmcl.2006.05.068 |
| Homo sapiens | Carbonic anhydrase II | Ki | nan | None | None |
| Homo sapiens | Carbonic anhydrase II | Kinact | 28000.0 | nM | 10.1016/j.bmcl.2006.12.107 |
| Homo sapiens | Carbonic anhydrase IV | Ki | 113000.0 | nM | 10.1016/j.bmcl.2006.05.068 |
| Homo sapiens | Carbonic anhydrase IX | Ki | 23000.0 | nM | 10.1016/j.bmcl.2006.05.068 |
| Homo sapiens | Carbonic anhydrase IX | Kinact | 23000.0 | nM | 10.1016/j.bmcl.2006.12.107 |
| Homo sapiens | Carbonic anhydrase VA | Ki | 31000.0 | nM | 10.1016/j.bmcl.2006.05.068 |
| Homo sapiens | Caspase-1 | IC50 | nan | None | None |
| Homo sapiens | Caspase-1 | Ki | nan | None | None |
| Homo sapiens | Cathepsin G | IC50 | nan | None | None |
| Homo sapiens | Cathepsin G | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 2 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 2 | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 4 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 4 | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 5 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 5 | Ki | nan | None | None |
| Homo sapiens | CCRF-CEM | GI50 | 50350.06 | 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 | 1737800.83 | nM | None |
| Homo sapiens | Cyclooxygenase-1 | AC50 | 30000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | Cyclooxygenase-1 | IC50 | nan | None | None |
| Homo sapiens | Cyclooxygenase-1 | Ki | nan | None | None |
| Homo sapiens | Cyclooxygenase-2 | IC50 | nan | None | None |
| Homo sapiens | Cyclooxygenase-2 | Ki | nan | None | None |
| Homo sapiens | Cysteinyl leukotriene receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Cysteinyl leukotriene receptor 1 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 1A2 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 1A2 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2A6 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2A6 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | 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 | AC50 | 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 | AC50 | 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 | Cytochrome P450 3A4 | Potency | 39810.7 | nM | None |
| Homo sapiens | Delta opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Delta opioid receptor | Ki | nan | None | None |
| Homo sapiens | DLD-1 | GI50 | 1445439.77 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 245470.89 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 137088.18 | 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 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 | 818464.79 | nM | None |
| Homo sapiens | EKVX | GI50 | 1790605.85 | 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 | 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 | Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 | 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 | HCC 2998 | GI50 | 679203.63 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 995405.42 | nM | None |
| Homo sapiens | HCT-116 | IC50 | 223000.0 | nM | 10.1016/j.bmc.2009.06.030 |
| Homo sapiens | HCT-15 | GI50 | 870963.59 | nM | None |
| Homo sapiens | HeLa | Inhibition | 34.3 | % | 10.1021/jm00128a032 |
| Homo sapiens | HeLa | Inhibition | 63.5 | % | 10.1021/jm00128a032 |
| Homo sapiens | HeLa | Inhibition | 77.0 | % | 10.1021/jm00128a032 |
| Homo sapiens | HeLa | Inhibition | 90.0 | % | 10.1021/jm00128a032 |
| Homo sapiens | HERG | AC50 | 30000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | HERG | IC50 | nan | None | None |
| Homo sapiens | HERG | Ki | nan | None | None |
| Homo sapiens | Histamine H1 receptor | 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 | -62.1 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 1.31 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 22.4 | nM | None |
| Homo sapiens | HL-60 | Activity | 7.0 | % | 10.1016/j.bmcl.2014.09.046 |
| Homo sapiens | HL-60 | Activity | 86.0 | % | 10.1016/j.bmcl.2014.09.046 |
| Homo sapiens | HL-60 | GI50 | 18365.38 | nM | None |
| Homo sapiens | HL-60 | IC50 | nan | None | 10.1007/s00044-011-9778-y |
| Homo sapiens | HMG-CoA reductase | IC50 | nan | None | None |
| Homo sapiens | HMG-CoA reductase | Ki | nan | None | None |
| Homo sapiens | Homo sapiens | CL | 1.0 | mL.min-1.kg-1 | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | CL | 1.5 | mL.min-1.kg-1 | 10.1021/jm900403j |
| Homo sapiens | Homo sapiens | CL | 1.5 | mL.min-1.kg-1 | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | CL_renal | 0.5 | mL.min-1.kg-1 | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | CL_renal | 0.54 | mL.min-1.kg-1 | 10.1021/jm900403j |
| Homo sapiens | Homo sapiens | DILI_Concern | nan | None | 10.1016/j.drudis.2016.02.015 |
| Homo sapiens | Homo sapiens | DILI_severity_class | 8.0 | None | 10.1016/j.drudis.2016.02.015 |
| Homo sapiens | Homo sapiens | Fa | 1.0 | None | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | F_fraction | 1.0 | None | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | Fg | 1.04 | None | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | Fh | 0.96 | None | 10.1021/jm901371v |
| Homo sapiens | Homo sapiens | Vdss | 0.52 | L.kg-1 | 10.1021/jm901371v |
| Homo sapiens | HOP-18 | GI50 | 933254.3 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 903649.47 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 895364.77 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 739605.28 | nM | None |
| Homo sapiens | HT-29 | Activity | 25.0 | % | 10.1016/j.bmcl.2006.08.122 |
| Homo sapiens | HT-29 | GI50 | 605340.87 | nM | None |
| Homo sapiens | HuT78 | Activity | 97.0 | % | 10.1021/jm900496b |
| Homo sapiens | IGROV-1 | GI50 | 1111731.73 | nM | None |
| Homo sapiens | Interleukin-8 receptor A | IC50 | nan | None | None |
| Homo sapiens | Interleukin-8 receptor A | Ki | nan | None | None |
| Homo sapiens | Interleukin-8 receptor B | IC50 | nan | None | None |
| Homo sapiens | Interleukin-8 receptor B | Ki | nan | None | None |
| Homo sapiens | K562 | Activity | 0.45 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 0.75 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 1.5 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 2.82 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 6.06 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 21.9 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 70.5 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | 96.0 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | nan | None | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562 | Activity | nan | None | 10.1021/jm300602n |
| Homo sapiens | K562 | FC | 1.77 | None | 10.1021/jm300602n |
| Homo sapiens | K562 | GI50 | 877000.82 | nM | None |
| Homo sapiens | K562 | IC50 | 687940.0 | nM | 10.1007/s00044-010-9544-6 |
| Homo sapiens | K562-Lucena 1 | Activity | 1.99 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 5.06 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 5.57 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 12.2 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 15.3 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 22.1 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 60.1 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | 77.7 | % | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | K562-Lucena 1 | Activity | nan | None | 10.1021/acs.jnatprod.0c00115 |
| Homo sapiens | Kappa opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Kappa opioid receptor | Ki | nan | None | None |
| Homo sapiens | KB | ED50 | 5.29 | ug ml-1 | 10.1021/np50077a010 |
| Homo sapiens | KM12 | GI50 | 901571.14 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 435511.87 | 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 | 699842.0 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 712853.03 | nM | None |
| Homo sapiens | M14 | GI50 | 597035.29 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 1419057.52 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 1166809.62 | 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 3 | Kd | 25000000.0 | nM | 10.1021/jm020160g |
| Homo sapiens | Matrix metalloproteinase 9 | IC50 | nan | None | None |
| Homo sapiens | Matrix metalloproteinase 9 | Ki | nan | None | None |
| Homo sapiens | MCF7 | GI50 | 385478.36 | nM | None |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.06.030 |
| Homo sapiens | MDA-MB-231 | GI50 | 1406047.52 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 1999861.87 | nM | None |
| Homo sapiens | MDA-N | GI50 | 1940885.88 | 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 | Mitochondrial amidoxime-reducing component 1 | Activity | 471.5 | nmol/mg.min | 10.1021/acs.jmedchem.9b01483 |
| Homo sapiens | Mitochondrial amidoxime reducing component 2 | Activity | 34.4 | nmol/mg.min | 10.1021/acs.jmedchem.9b01483 |
| Homo sapiens | MOLT-4 | GI50 | 221819.64 | nM | None |
| Homo sapiens | MOLT-4 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.06.030 |
| Homo sapiens | Monoamine oxidase A | AC50 | 30000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| Homo sapiens | Monoamine oxidase A | IC50 | nan | None | None |
| Homo sapiens | Monoamine oxidase A | Ki | nan | None | None |
| Homo sapiens | Monoamine oxidase B | Activity | nan | None | 10.1021/jm800656v |
| Homo sapiens | Multidrug resistance-associated protein 4 | IC50 | 133000.0 | nM | 10.1093/toxsci/kft176 |
| 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 | 389941.99 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 772680.59 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 709577.77 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 2108628.15 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 343557.95 | nM | None |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.06.030 |
| Homo sapiens | NCI-H522 | GI50 | 729457.51 | 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 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 NF-kappa-B p105 subunit | Potency | 3162.3 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 1238796.59 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 1849268.62 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 601173.74 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 503500.61 | nM | None |
| Homo sapiens | PC-3 | GI50 | 1006931.67 | nM | None |
| Homo sapiens | Peripheral myelin protein 22 | Potency | 47754.8 | nM | None |
| 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 | Prelamin-A/C | Potency | 11220.2 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 12589.3 | nM | None |
| Homo sapiens | Progesterone receptor | AC50 | 30000.0 | nM | 10.1038/s41467-023-40064-9 |
| Homo sapiens | Protein kinase C alpha | IC50 | nan | None | None |
| Homo sapiens | Protein kinase C alpha | Ki | nan | None | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | nan | None | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | Ki | nan | None | None |
| Homo sapiens | Ribonucleoside-diphosphate reductase M1 chain | IC50 | 997000.0 | nM | 10.1021/acs.jmedchem.5b00929 |
| Homo sapiens | RPMI-8226 | GI50 | 277332.01 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 857037.85 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 470977.33 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase tousled-like 2 | Inhibition | nan | % | 10.1016/j.ejmech.2021.113904 |
| 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 | 523600.44 | nM | None |
| Homo sapiens | SF-295 | GI50 | 312607.94 | nM | None |
| Homo sapiens | SF-539 | GI50 | 314774.83 | 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 | 1999861.87 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1918668.74 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 506990.71 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 1682674.06 | nM | None |
| Homo sapiens | SN12C | GI50 | 737904.23 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 172981.64 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 1581248.04 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 816582.37 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 2157744.41 | nM | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 87.55 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 113.37 | % | 10.1124/mol.112.084152 |
| Homo sapiens | SR | GI50 | 217270.12 | nM | None |
| Homo sapiens | SW480 | ED50 | 4.79 | ug ml-1 | 10.1021/np50077a010 |
| Homo sapiens | SW-620 | GI50 | 1093956.37 | nM | None |
| Homo sapiens | SW-620 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.06.030 |
| Homo sapiens | T47D | GI50 | 1485935.64 | nM | None |
| Homo sapiens | Thrombin | AC50 | 10000.0 | 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 | Thyroid stimulating hormone receptor | Potency | 25118.9 | nM | None |
| Homo sapiens | TK-10 | GI50 | 1976969.64 | 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 | U-251 | GI50 | 580764.42 | nM | None |
| Homo sapiens | U2OS | Activity | nan | None | 10.1016/j.ejmech.2021.113904 |
| Homo sapiens | U-937 | IC50 | 115000.0 | nM | 10.1007/s00044-011-9778-y |
| Homo sapiens | UACC-257 | GI50 | 1811340.09 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 291071.71 | nM | None |
| Homo sapiens | UO-31 | GI50 | 508159.44 | 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 | Vascular endothelial growth factor receptor 2 | AC50 | 30000.0 | nM | 10.1038/s41467-023-40064-9 |
| 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 | Vitamin D receptor | Potency | 56234.1 | nM | None |
| Homo sapiens | XF498 | GI50 | 820351.54 | nM | None |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | nan | None | 10.1016/j.bmc.2016.03.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 25800.0 | nM | 10.1016/j.bmc.2016.03.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | FC | 2.5 | None | 10.1016/j.bmc.2016.03.052 |
| Leishmania mexicana | Leishmania mexicana | Activity | 0.0 | /ml | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Activity | 4.3 | 10'6/ml | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Activity | 8.5 | 10'6/ml | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Activity | nan | None | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | ED50 | 0.015 | ug ml-1 | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | ED50 | 0.05 | ug ml-1 | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 44.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 67.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 72.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 85.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 87.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 93.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 94.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 96.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 98.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | 100.0 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Inhibition | nan | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Survival | 3.1 | % | 10.1128/aac.00124-08 |
| Leishmania mexicana | Leishmania mexicana | Survival | 11.6 | % | 10.1128/aac.00124-08 |
| Mus musculus | Dihydrofolate reductase | Log 1/C | 4.33 | None | 10.1021/jm00369a019 |
| Mus musculus | Dihydrofolate reductase | Log 1/C | 4.36 | None | 10.1021/jm00369a019 |
| Mus musculus | L1210 | Activity | 2500.0 | mg kg-1 | 10.1021/jm00191a027 |
| Mus musculus | L1210 | ED50 | 2.67 | ug ml-1 | 10.1021/np50077a010 |
| Mus musculus | L1210 | IC50 | 21379.62 | nM | 10.1021/jm00146a022 |
| Mus musculus | L1210 | IC50 | 82000.0 | nM | 10.1021/jm010252q |
| Mus musculus | L1210 | IC50 | 85000.0 | nM | 10.1021/jm00125a018 |
| Mus musculus | L1210 | ID16 | 1.99e-06 | M | 10.1021/jm00368a024 |
| Mus musculus | L1210 | ID50 | 2.16e-05 | M | 10.1021/jm00146a022 |
| Mus musculus | L1210 | ID50 | 6.062e-05 | M | 10.1021/jm00368a024 |
| Mus musculus | L1210 | ID84 | 0.000181 | M | 10.1021/jm00368a024 |
| Mus musculus | L1210 | Log CR | 0.3 | None | 10.1021/jm00169a014 |
| Mus musculus | L1210 | T/C | 162.0 | % | 10.1021/jm00191a027 |
| Mus musculus | L1210 | T/C | 291.0 | % | 10.1021/jm00219a024 |
| Mus musculus | L1210 | Viability | 97.0 | % | 10.1021/jm00125a018 |
| Mus musculus | Mus musculus | Activity | 0.23 | % | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 1.3 | % | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 6.34 | M/uL | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 6.7 | g/dl | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 9.75 | K/uL | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 9.9 | None | 10.1021/jm300602n |
| Mus musculus | Mus musculus | Activity | 14.7 | % | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 15.0 | None | 10.1021/jm300602n |
| Mus musculus | Mus musculus | Activity | 23.02 | K/uL | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Activity | 33.7 | None | 10.1021/jm300602n |
| Mus musculus | Mus musculus | Activity | 50.92 | % | 10.1016/j.ejmech.2020.112938 |
| Mus musculus | Mus musculus | Inhibition | nan | % | 10.1021/jm300602n |
| Mus musculus | Nitric oxide synthase, inducible | IC50 | nan | None | None |
| Mus musculus | Nitric oxide synthase, inducible | Ki | nan | None | None |
| Mus musculus | P388 | GI | 87.0 | % | 10.1021/jm00222a017 |
| Mus musculus | P388 | GI50 | 69823.24 | nM | None |
| Mus musculus | P388 | IC50 | 32000.0 | nM | 10.1021/jm00125a018 |
| Mus musculus | P388 | Viability | 96.0 | % | 10.1021/jm00125a018 |
| Mus musculus | P388/ADR | GI50 | 59292.53 | 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 | nan | None | None |
| Oryctolagus cuniculus | Arachidonate 15-lipoxygenase | Ki | nan | None | None |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 792000.0 | nM | 10.1016/j.bmc.2010.01.068 |
| 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 | Glycine receptor | IC50 | nan | None | None |
| Rattus norvegicus | Glycine receptor | Ki | nan | None | 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 | Nitric-oxide synthase, brain | IC50 | nan | None | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | Ki | nan | None | None |
| Rattus norvegicus | Plasma | Fu | 1.0 | None | 10.1021/jm901371v |
| Rattus norvegicus | Rattus norvegicus | ALB | 39700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALB | 39800.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALB | 41000.0 | 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 | ALP | 216.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 320.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 321.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 323.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 328.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 381.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 39.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 47.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 47.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 54.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 56.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 73.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 76.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 76.17 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 80.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 84.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 99.17 | 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 | 1.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 100.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 113.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 123.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 126.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 138.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 98.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 98.67 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 99.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 100.67 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 596.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 640.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 741.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 753.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 773.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 820.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 221.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 258.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 271.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 314.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 362.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 363.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 28670000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 29000000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 29670000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 30000000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 30330000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 30830000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 1.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 1.5 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 2.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 2.2 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 2.4 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOS | 0.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOS | 15.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOS | 16.17 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOS | 40.0 | 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 | 0.33 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOSLE | 0.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1505.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1520.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1546.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1586.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1678.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1693.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 29.63 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 30.23 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 33.47 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 33.63 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 34.53 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 34.9 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 113700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 119000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 128300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 129700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 133500.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 134000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 74.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 79.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 90.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 90.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 92.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 120.83 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 8.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 9.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 10.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 10.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 22.5 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 4141.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 4351.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 4978.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 7014.67 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 8222.33 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYM | 9117.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 87.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 90.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 93.0 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 94.5 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 96.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 97.0 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 24.93 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 25.03 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 25.1 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 25.3 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 25.72 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 381700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 382500.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 384300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 387700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 388300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 393700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 63.63 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 64.63 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 64.87 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 65.23 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 66.27 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 67.22 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 8.33 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 16.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 16.17 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 44.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 87.67 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONO | 89.67 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 0.17 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 0.33 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 0.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 1.0 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 2.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 3.0 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 5.17 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 6.0 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 7.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 11.33 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 117.33 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 133.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 471.33 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 484.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 557.67 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTSG | 663.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 101.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 105.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 106.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 108.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 109.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 116.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 955000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1033000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1118000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1142000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1286000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1298500.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.3 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.6 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.62 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.78 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.95 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 58700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 59300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 59500.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 60700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 61000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 61800.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 4560000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 4750000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 5080000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 5130000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 5190000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 5350000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBCNUC | 0.0 | /100WBC | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBCNUC | 0.33 | /100WBC | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 142.63 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 142.83 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 143.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 143.13 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 144.07 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 144.93 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | Tissue Severity Score | nan | None | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 4.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 5.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 6.5 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 8.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 8.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 9.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 4270.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 4500.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 5700.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 7700.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 8780.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 9630.0 | 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 | 1500.3 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 23778.1 | nM | None |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | 14.3 | mm | 10.1016/j.bmc.2012.04.025 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 32.2 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Hit score | 0.237 | 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 | 0.09 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 5.93 | % | 10.21203/rs.3.rs-23951/v1 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 0.0 | % | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 1.0 | % | 10.1016/j.ejmech.2010.05.017 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 4.0 | % | 10.1016/j.ejmech.2010.05.017 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 7.37 | % | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 10.4 | % | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 22.78 | % | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 53.0 | % | 10.1016/j.ejmech.2010.05.017 |
| Toxoplasma gondii | Toxoplasma gondii | Activity | 58.23 | % | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | IC50 | 100000.0 | nM | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2005.03.048 |
| Toxoplasma gondii | Toxoplasma gondii | IC50 | 500000.0 | nM | 10.1016/j.bmc.2007.09.025 |
| Toxoplasma gondii | Toxoplasma gondii | LD50 | 0.5 | mM | 10.1016/j.ejmech.2010.05.017 |
| Toxoplasma gondii | Toxoplasma gondii | Mean number of parasites | 186.0 | None | 10.1016/j.bmcl.2005.03.048 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2016.03.052 |
| None | ADMET | CC50 | 252000.0 | nM | 10.1016/j.bmc.2016.03.052 |
| None | ADMET | CL | 1.5 | mL.min-1.kg-1 | 10.1124/dmd.108.020479 |
| None | ADMET | Ep2/2 | 948.0 | mV | 10.1021/jm0301538 |
| None | ADMET | MRT | 4.8 | hr | 10.1124/dmd.108.020479 |
| None | ADMET | Nitrate | 25.1 | uM | 10.1021/jm0301538 |
| None | ADMET | Nitrite | 9.4 | uM | 10.1021/jm0301538 |
| None | ADMET | rate constant app | 7.54 | min-1 | 10.1021/jm0301538 |
| None | ADMET | T1/2 | 3.4 | hr | 10.1124/dmd.108.020479 |
| None | ADMET | Vdss | 0.52 | L.kg-1 | 10.1124/dmd.108.020479 |
| None | Erythrocyte | CC50 | 147000.0 | nM | 10.1016/j.ejmech.2020.112938 |
| None | Hepatotoxicity | Alkaline Phosphatase Increase - Activity Score | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Alkaline Phosphatase Increase - Index Value | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Alkaline Phosphatase Increase - Number of Reports | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Composite Activity - Active | 0.0 | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Composite Activity - Marginal | 0.0 | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Composite Activity - Score | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | GGT Increase - Activity Score | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | GGT Increase - Index Value | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | GGT Increase - Number of Reports | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | Hepatotoxicity | nan | None | 10.1021/tx1000865 |
| None | Hepatotoxicity | Hepatotoxicity | nan | None | 10.1021/tx900326k |
| None | Hepatotoxicity | Hepatotoxicity | nan | None | 10.1124/dmd.110.035113 |
| None | Hepatotoxicity | HepSE_bilirubinemia | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_cholecystitis | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_cholelithiasis | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_cirrhosis | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_Combined Scores | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_elevated liver function tests | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_hepatic failure | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_hepatic necrosis | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_hepatitis | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_hepatomegaly | 0.0 | None | 10.1371/journal.pcbi.1002310 |
| None | Hepatotoxicity | HepSE_jaundice | 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 | 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 | 8.0 | 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 | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | SGOT Increase - Number of Reports | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | SGPT Increase - Activity Score | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | SGPT Increase - Index Value | nan | None | 10.2174/1570163043334794 |
| None | Hepatotoxicity | SGPT Increase - Number of Reports | nan | None | 10.2174/1570163043334794 |
| None | NON-PROTEIN TARGET | Activity | 463.3 | pg/ml | 10.1021/jm200531f |
| None | NON-PROTEIN TARGET | Activity | 579.8 | pg/ml | 10.1021/jm200531f |
| None | NON-PROTEIN TARGET | ED50 | 1.96 | ug ml-1 | 10.1021/np50077a010 |
| None | NON-PROTEIN TARGET | ED50 | 2.27 | ug ml-1 | 10.1021/np50077a010 |
| None | NON-PROTEIN TARGET | ED50 | 3.18 | ug ml-1 | 10.1021/np50077a010 |
| None | NON-PROTEIN TARGET | ED50 | 7.37 | ug ml-1 | 10.1021/np50077a010 |
| None | NON-PROTEIN TARGET | ED50 | 7.54 | ug ml-1 | 10.1021/np50077a010 |
| None | NON-PROTEIN TARGET | Fu | 1.0 | None | 10.1124/dmd.108.020479 |
| 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) | 2.0 | 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) | 5.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | NON-PROTEIN TARGET | Hepatotoxicity (moderate) | 12.5 | % | 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 | 140000.0 | nM | 10.1021/jm000979z |
| None | NON-PROTEIN TARGET | IC50 | 650000.0 | nM | 10.1016/j.bmcl.2016.02.028 |
| None | NON-PROTEIN TARGET | Potency | 2.1 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 472.8 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 1187.5 | nM | None |
| None | No relevant target | CLogP | -1.8 | None | 10.1021/jm010252q |
| None | No relevant target | LogD | -1.27 | None | 10.1021/jm00169a014 |
| None | No relevant target | LogP | -1.8 | None | 10.1021/jm00369a019 |
| None | No relevant target | LogP | -1.8 | None | 10.1021/jm070524a |
| None | No relevant target | LogP | -1.27 | None | 10.1021/jm00219a024 |
| None | No relevant target | PKa | 10.65 | None | 10.1021/jm0301538 |
| None | Phospholipidosis | Phospholipidosis | nan | None | 10.1021/ci6004542 |
| None | Phospholipidosis | Phospholipidosis | nan | None | 10.1021/mp100103e |
| None | Unchecked | Ac50 | 0.631 | uM | None |
| None | Unchecked | Ac50 | 1.585 | uM | None |
| None | Unchecked | Ac50 | 1.778 | uM | None |
| None | Unchecked | Ac50 | 5.623 | uM | None |
| None | Unchecked | Ac50 | 8.913 | uM | None |
| None | Unchecked | Ac50 | 10.0 | uM | None |
| None | Unchecked | AC50 | 631.0 | nM | None |
| None | Unchecked | AC50 | 1584.9 | nM | None |
| None | Unchecked | AC50 | 1780.0 | nM | None |
| None | Unchecked | AC50 | 5623.4 | nM | None |
| None | Unchecked | AC50 | 8912.5 | nM | None |
| None | Unchecked | AC50 | 10000.0 | nM | None |
| None | Unchecked | Activity | 11.9 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | 19.52 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | 21.27 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | 38.22 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | 45.1 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | 48.2 | % | 10.1021/jm000979z |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2016.03.052 |
| None | Unchecked | Activity | nan | None | 10.1016/j.ejmech.2020.112938 |
| None | Unchecked | FC | 2.5 | None | 10.1016/j.ejmech.2020.112938 |
| None | Unchecked | Hepatotoxicity (acute) | 4.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (association with vascular disease) | 0.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (choleostasis) | 1.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (chronic liver disease) | 0.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (cirrhosis) | 0.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (comment) | nan | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (cytolytic) | 3.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (malignant tumour) | 0.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (severe hepatitis) | 1.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (steatosis) | 0.0 | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | Hepatotoxicity (successful reintroduction) | nan | None | 10.1016/s0399-8320(04)95062-2 |
| None | Unchecked | IC50 | 37150.0 | nM | 10.1021/jm000979z |
| None | Unchecked | IC50 | 37200.0 | nM | 10.1021/jm401605c |
| None | Unchecked | IC50 | 148000.0 | nM | 10.1016/j.bmcl.2008.09.097 |
| None | Unchecked | IC50 | 500000.0 | nM | 10.1021/jm00128a032 |
| None | Unchecked | IC50 | nan | None | None |
| None | Unchecked | IC50 ratio | 0.26 | None | 10.1021/jm000979z |
| None | Unchecked | ID50 | 0.11 | mM | 10.1021/jm00219a024 |
| None | Unchecked | ID50 | 500.0 | uM | 10.1021/jm00191a027 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2021.113904 |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio749 |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Ki | nan | None | None |
| None | Unchecked | Potency | 1778.3 | nM | None |
| None | Unchecked | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 8912.5 | nM | None |
| None | Unchecked | Ratio | 1.0 | None | 10.1021/jm00219a024 |
| None | Unchecked | Ratio CC50/EC50 | 9.8 | None | 10.1016/j.bmc.2016.03.052 |
| None | Unchecked | Selectivity ratio | 1.21 | None | 10.1016/j.bmcl.2006.12.107 |