(2E)-3-(4-tert-butylbenzenesulfonyl)prop-2-enenitrile
AlkaPlorer ID: AK323855
Synonym: None
IUPAC Name: (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
Structure
SMILES: CC(C)(C)C1=CC=C(S(=O)(=O)/C=C/C#N)C=C1
InChI: InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+
InChIKey: VHKZGNPOHPFPER-ONNFQVAWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 249.335
TPSA？: 57.93
MolLogP？: 2.7950800000000013
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
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 |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 10000.0 | nM | None |
| Homo sapiens | 78 kDa glucose-regulated protein | Potency | 2930.9 | nM | None |
| Homo sapiens | A2780 | Activity | nan | None | 10.1021/jm501437v |
| Homo sapiens | A2780 | EC50 | 2600.0 | nM | 10.1021/jm501437v |
| Homo sapiens | A2780 | IC50 | 2600.0 | nM | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | A2780 | Inhibition | nan | % | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | A2780 | Inhibition | nan | % | 10.1021/jm501437v |
| Homo sapiens | A2780 | Ratio | 0.04 | None | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | A2780 | Ratio | 0.04 | None | 10.1021/jm501437v |
| Homo sapiens | Acetylcholinesterase | IC50 | nan | None | None |
| Homo sapiens | Acetylcholinesterase | Ki | nan | None | 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 | IC50 | nan | None | None |
| Homo sapiens | Adenosine A3 receptor | Ki | nan | None | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 112.2 | nM | None |
| 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 | 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 | Alpha-synuclein | Potency | 5623.4 | nM | None |
| Homo sapiens | Alpha-synuclein | Potency | 5804.8 | nM | None |
| Homo sapiens | Amyloid-beta A4 protein | Potency | 1158.2 | nM | None |
| 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 | Ataxin-2 | Potency | 22387.2 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 35481.3 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 29081.0 | 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 | Bloom syndrome protein | Potency | 5.6 | nM | None |
| Homo sapiens | Bradykinin B2 receptor | IC50 | nan | None | None |
| Homo sapiens | Bradykinin B2 receptor | Ki | nan | None | None |
| Homo sapiens | BXPC-3 | IC50 | 3700.0 | nM | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | BXPC-3 | Ratio | 0.07 | None | 10.1016/j.bmcl.2012.01.085 |
| 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 | CASP8 and FADD-like apoptosis regulator | Inhibition | nan | % | 10.1016/j.bmcl.2012.01.085 |
| 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 | 4177.0 | nM | None |
| Homo sapiens | C-C chemokine receptor type 2 | Ki | 1614.0 | nM | 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 | Cerebroside-sulfatase | Potency | 7568.6 | nM | None |
| Homo sapiens | Cholecystokinin A receptor | IC50 | nan | None | None |
| Homo sapiens | Cholecystokinin A receptor | Ki | nan | None | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 44668.4 | nM | None |
| 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 | 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 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2E1 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2E1 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | Ki | nan | None | None |
| Homo sapiens | DBTRG-05MG | IC50 | 5530.0 | nM | 10.1016/j.ejmech.2022.114861 |
| Homo sapiens | Delta opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Delta opioid receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D1 receptor | IC50 | 4412.0 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Ki | 2206.0 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Potency | 5804.5 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Potency | 7943.3 | nM | None |
| Homo sapiens | Dopamine D2 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D2 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D3 receptor | IC50 | 3460.0 | nM | None |
| Homo sapiens | Dopamine D3 receptor | Ki | 1175.0 | nM | None |
| Homo sapiens | Dopamine D4 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D4 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine transporter | IC50 | nan | None | None |
| Homo sapiens | Dopamine transporter | Ki | nan | None | 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 | 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 | Flap endonuclease 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 1122.0 | nM | None |
| Homo sapiens | Glucocorticoid receptor | IC50 | nan | None | None |
| Homo sapiens | Glucocorticoid receptor | Ki | nan | None | None |
| Homo sapiens | HEK293 | Potency | 3661.1 | nM | None |
| Homo sapiens | HEK293 | Potency | 11220.2 | nM | None |
| Homo sapiens | HeLa | Activity | 0.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Activity | 4.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Activity | 41.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Inhibition | 0.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Inhibition | 35.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Inhibition | 44.0 | % | 10.1021/jm070723u |
| Homo sapiens | HeLa | Inhibition | 65.0 | % | 10.1021/jm070723u |
| Homo sapiens | HepG2 | Potency | 14125.4 | nM | None |
| Homo sapiens | HERG | IC50 | nan | None | None |
| Homo sapiens | HERG | Ki | nan | None | None |
| Homo sapiens | HERG | Potency | 35481.3 | nM | 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 | Histone acetyltransferase GCN5 | Potency | 14125.4 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -1.91 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 6.25 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 946.6 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 1122.0 | nM | None |
| Homo sapiens | HMG-CoA reductase | IC50 | nan | None | None |
| Homo sapiens | HMG-CoA reductase | Ki | nan | None | None |
| Homo sapiens | HT-29 | Activity | nan | None | 10.1021/jm501437v |
| 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 | Kappa opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Kappa opioid receptor | Ki | nan | None | 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 | MAP kinase ERK1 | IC50 | nan | None | None |
| Homo sapiens | MAP kinase ERK1 | Ki | nan | None | None |
| Homo sapiens | MAP kinase ERK2 | IC50 | nan | None | None |
| Homo sapiens | MAP kinase ERK2 | Ki | nan | None | None |
| Homo sapiens | MAP kinase p38 alpha | IC50 | nan | None | None |
| Homo sapiens | MAP kinase p38 alpha | Ki | nan | None | None |
| Homo sapiens | Matrix metalloproteinase-1 | IC50 | nan | None | None |
| Homo sapiens | Matrix metalloproteinase-1 | Ki | nan | None | None |
| Homo sapiens | Matrix metalloproteinase 9 | IC50 | nan | None | None |
| Homo sapiens | Matrix metalloproteinase 9 | Ki | nan | None | None |
| Homo sapiens | MDA-MB-231 | IC50 | 4310.0 | nM | 10.1016/j.ejmech.2022.114861 |
| 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 | Microtubule-associated protein tau | Potency | 3548.1 | nM | None |
| 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 | 15848.9 | nM | None |
| Homo sapiens | M-phase phosphoprotein 8 | Potency | 19952.6 | nM | None |
| Homo sapiens | Mu opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Mu opioid receptor | Ki | nan | None | None |
| 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 | 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 | Neurokinin 1 receptor | IC50 | nan | None | None |
| Homo sapiens | Neurokinin 1 receptor | Ki | nan | None | None |
| Homo sapiens | Neurokinin 2 receptor | IC50 | nan | None | None |
| Homo sapiens | Neurokinin 2 receptor | Ki | nan | None | None |
| Homo sapiens | Neuropeptide S receptor | Potency | 19952.6 | nM | 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 | Niemann-Pick C1 protein | Potency | 73078.0 | nM | None |
| Homo sapiens | Norepinephrine transporter | IC50 | nan | None | None |
| Homo sapiens | Norepinephrine transporter | Ki | nan | None | None |
| Homo sapiens | Nuclear factor NF-kappa-B p65 subunit | FC | 0.1 | None | 10.1021/acs.jnatprod.0c00300 |
| Homo sapiens | Peripheral myelin protein 22 | Potency | 8492.1 | nM | None |
| 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 | 3162.3 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 11220.2 | nM | None |
| Homo sapiens | Protein kinase C alpha | IC50 | nan | None | None |
| Homo sapiens | Protein kinase C alpha | Ki | nan | None | None |
| Homo sapiens | Ras-related protein Rab-9A | Potency | 58047.9 | nM | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | nan | None | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | Ki | nan | None | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 2119.2 | nM | None |
| Homo sapiens | Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform | IC50 | nan | None | None |
| Homo sapiens | Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform | Ki | nan | None | None |
| Homo sapiens | Serotonin 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 | 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 | IC50 | nan | None | None |
| Homo sapiens | Serotonin transporter | Ki | nan | None | None |
| Homo sapiens | SH-SY5Y | Potency | 22387.2 | nM | None |
| Homo sapiens | Sigma opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Sigma opioid receptor | Ki | nan | None | None |
| Homo sapiens | SK-OV-3 | Activity | nan | None | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | SK-OV-3 | IC50 | 7600.0 | nM | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | SK-OV-3 | Inhibition | nan | % | 10.1021/jm501437v |
| Homo sapiens | SK-OV-3 | Ratio | 0.32 | None | 10.1016/j.bmcl.2012.01.085 |
| Homo sapiens | Survival motor neuron protein | Potency | 35481.3 | nM | None |
| Homo sapiens | Thromboxane-A synthase | IC50 | nan | None | None |
| Homo sapiens | Thromboxane-A synthase | Ki | nan | None | 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 | 562.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 794.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 12589.3 | nM | None |
| Homo sapiens | Vanilloid receptor | Potency | 11220.2 | nM | None |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | Ki | nan | None | None |
| Homo sapiens | Vasoactive intestinal polypeptide receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Vasoactive intestinal polypeptide receptor 1 | Ki | nan | None | None |
| Homo sapiens | Vasopressin V1a receptor | IC50 | nan | None | None |
| Homo sapiens | Vasopressin V1a receptor | Ki | nan | None | None |
| Homo sapiens | Vitamin D receptor | Potency | 6309.6 | nM | None |
| Influenza A virus | Nonstructural protein 1 | Potency | 3548.1 | nM | None |
| Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) | Replicase polyprotein 1ab | IC50 | 10000.0 | nM | 10.6019/CHEMBL4495564 |
| Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) | Replicase polyprotein 1ab | Inhibition | 0.0 | % | 10.6019/CHEMBL4495564 |
| Mus musculus | Inhibitor of nuclear factor kappa-B kinase subunit beta | FC | 1.5 | None | 10.1021/acs.jnatprod.0c00300 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.bmcl.2012.01.085 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/jm501437v |
| Mus musculus | Nitric oxide synthase, inducible | IC50 | nan | None | None |
| Mus musculus | Nitric oxide synthase, inducible | Ki | nan | None | None |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00300 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | IC50 | 2580.0 | nM | 10.1128/aac.00803-09 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | IC50 | 6220.0 | nM | 10.1128/aac.00803-09 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | IC50 | 30600.0 | nM | 10.1128/aac.00803-09 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 6250.0 | nM | 10.1128/aac.00803-09 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 12500.0 | nM | 10.1128/aac.00803-09 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 50000.0 | nM | 10.1128/aac.00803-09 |
| 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 | 6309.57 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10000.0 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 12589.25 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | 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 | 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 | 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 | 376.9 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 1683.4 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 2119.2 | nM | None |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | 1835.6 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | IC50 | 840.0 | nM | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 100.28 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.77 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 3.21 | % | 10.21203/rs.3.rs-23951/v1 |
| Trypanosoma brucei | 6-phospho-1-fructokinase | Potency | 37933.0 | nM | None |
| None | NON-PROTEIN TARGET | Activity | 31.0 | % | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | Activity | 38.0 | % | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | EC50 | 3500.0 | nM | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | EC50 | 5000.0 | nM | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | EC50 | 5900.0 | nM | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | IC50 | 5900.0 | nM | 10.1016/j.bmcl.2012.01.085 |
| None | NON-PROTEIN TARGET | Potency | 7079.5 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 8912.5 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 10000.0 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 11220.2 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 12589.3 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 14125.4 | nM | None |
| None | NON-PROTEIN TARGET | Ratio | 0.07 | None | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | Ratio | 0.13 | None | 10.1016/j.bmcl.2012.01.085 |
| None | NON-PROTEIN TARGET | Ratio | 0.13 | None | 10.1021/jm501437v |
| None | NON-PROTEIN TARGET | Ratio | 0.32 | None | 10.1021/jm501437v |
| None | No relevant target | Activity | nan | None | 10.1021/jm501437v |
| None | Unchecked | IC50 | 100.0 | nM | 10.1016/j.bmcl.2007.01.088 |
| None | Unchecked | IC50 | nan | None | None |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2012.12.034 |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Ki | nan | None | None |
| None | Unchecked | Potency | 2511.9 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |
| None | Unchecked | Potency | 7307.8 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |
| None | Unchecked | Potency | 20587.8 | nM | None |
| None | Unchecked | Potency | 29092.9 | nM | None |