Stem definition | Drug id | CAS RN |
---|---|---|
3514 | 117-39-5 |
None
None
Source | Code | Description |
---|---|---|
CHEBI has role | CHEBI:35610 | antineoplastic agent |
MeSH PA | D000975 | Antioxidants |
MeSH PA | D020011 | Protective Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Primary hyperoxaluria | contraindication | 17901006 | DOID:2977 |
Kidney disease | contraindication | 90708001 | DOID:2527 |
Anemia due to enzyme deficiency | contraindication | 111577008 | |
Hb SS disease | contraindication | 127040003 | DOID:10923 |
Hemochromatosis | contraindication | 399187006 | DOID:2352 |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 6.4 | acidic |
pKa2 | 9.56 | acidic |
pKa3 | 11.29 | acidic |
pKa4 | 14.0 | acidic |
pKa5 | 14.0 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) |
Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Aromatase | Enzyme | IC50 | 7.92 | CHEMBL | |||||
Focal adhesion kinase 1 | Kinase | IC50 | 5.92 | CHEMBL | |||||
Casein kinase II subunit alpha | Kinase | Ki | 5.93 | CHEMBL | |||||
Lysine--tRNA ligase | Enzyme | IC50 | 4.70 | CHEMBL | |||||
Receptor-type tyrosine-protein kinase FLT3 | Kinase | IC50 | 6.23 | CHEMBL | |||||
Epidermal growth factor receptor | Kinase | IC50 | 6.05 | CHEMBL | |||||
Prothrombin | Enzyme | Kd | 7.41 | CHEMBL | |||||
Adenosine receptor A3 | GPCR | Ki | 4.52 | CHEMBL | |||||
RAC-alpha serine/threonine-protein kinase | Kinase | IC50 | 5.27 | CHEMBL | |||||
Carbonic anhydrase 2 | Enzyme | Ki | 5.60 | CHEMBL | |||||
Urokinase-type plasminogen activator | Enzyme | IC50 | 4.92 | CHEMBL | |||||
Multidrug resistance protein 1 | Transporter | Kd | 5.15 | CHEMBL | |||||
Carbonic anhydrase 12 | Enzyme | Ki | 5.03 | CHEMBL | |||||
Phospholipase A2 | Enzyme | IC50 | 5.70 | CHEMBL | |||||
Vascular endothelial growth factor receptor 2 | Kinase | IC50 | 6.55 | CHEMBL | |||||
Proto-oncogene tyrosine-protein kinase Src | Kinase | IC50 | 6.92 | CHEMBL | |||||
Alpha-amylase 1 | Enzyme | IC50 | 4.67 | CHEMBL | |||||
Cyclin-dependent kinase 2 | Kinase | IC50 | 4.40 | CHEMBL | |||||
Carbonic anhydrase 4 | Enzyme | Ki | 5.10 | CHEMBL | |||||
NADPH oxidase 4 | Enzyme | IC50 | 6.17 | CHEMBL | |||||
Cyclin-dependent kinase 5/CDK5 activator 1 | Kinase | IC50 | 4.64 | CHEMBL | |||||
Chymotrypsin C | Enzyme | IC50 | 4 | CHEMBL | |||||
Cyclin-dependent kinase 4/cyclin D1 | Kinase | IC50 | 4.21 | CHEMBL | |||||
Sorbitol dehydrogenase | Enzyme | IC50 | 4.45 | CHEMBL | |||||
Cyclin-dependent kinase 1/cyclin B1 | Kinase | IC50 | 4.70 | CHEMBL | |||||
Hypoxia-inducible factor 1-alpha inhibitor | Unclassified | IC50 | 4.99 | CHEMBL | |||||
Hepatocyte growth factor receptor | Kinase | IC50 | 6.24 | CHEMBL | |||||
Cyclin-dependent kinase 6 | Kinase | IC50 | 4.60 | CHEMBL | |||||
Arachidonate 5-lipoxygenase | Enzyme | IC50 | 6.10 | CHEMBL | |||||
Matrix metalloproteinase-9 | Enzyme | IC50 | 5.79 | CHEMBL | |||||
Calcium/calmodulin-dependent protein kinase type II subunit beta | Kinase | IC50 | 5.52 | CHEMBL | |||||
Bifunctional epoxide hydrolase 2 | Enzyme | IC50 | 4.47 | CHEMBL | |||||
Multidrug resistance-associated protein 1 | Transporter | Ki | 5.62 | CHEMBL | |||||
Tyrosine-protein phosphatase non-receptor type 1 | Enzyme | IC50 | 4.63 | CHEMBL | |||||
Amine oxidase [flavin-containing] A | Enzyme | IC50 | 5.55 | CHEMBL | |||||
Acetylcholinesterase | Enzyme | Ki | 4.42 | CHEMBL | |||||
D(4) dopamine receptor | GPCR | Ki | 5.11 | CHEMBL | |||||
Phosphatidylinositol 3-kinase regulatory subunit alpha | Kinase | IC50 | 5.42 | CHEMBL | |||||
Chymotrypsinogen B | Enzyme | IC50 | 4 | CHEMBL | |||||
Serine/threonine-protein kinase PLK1 | Kinase | IC50 | 5.24 | CHEMBL | |||||
NUAK family SNF1-like kinase 1 | Kinase | IC50 | 5.29 | CHEMBL | |||||
Dipeptidyl peptidase 4 | Enzyme | IC50 | 4.49 | CHEMBL | |||||
Amine oxidase [flavin-containing] B | Enzyme | IC50 | 4.05 | CHEMBL | |||||
Prolyl endopeptidase | Enzyme | IC50 | 4.89 | CHEMBL | |||||
Vasopressin V2 receptor | GPCR | IC50 | 5.20 | CHEMBL | |||||
G-protein coupled receptor 35 | GPCR | IC50 | 4.81 | CHEMBL | |||||
Prostaglandin G/H synthase 2 | Enzyme | IC50 | 4.54 | CHEMBL | |||||
Beta-secretase 1 | Enzyme | Ki | 4.85 | CHEMBL | |||||
Calmodulin | Cytosolic other | IC50 | 4.89 | CHEMBL | |||||
72 kDa type IV collagenase | Enzyme | IC50 | 5.18 | CHEMBL | |||||
Myeloperoxidase | Enzyme | IC50 | 5.90 | CHEMBL | |||||
Carbonic anhydrase 9 | Enzyme | Ki | 5.15 | CHEMBL | |||||
Stromelysin-1 | Enzyme | IC50 | 5.25 | CHEMBL | |||||
Cyclin-dependent kinase 1 | Kinase | IC50 | 6.35 | CHEMBL | |||||
Cytochrome P450 1B1 | Enzyme | IC50 | 7.11 | CHEMBL | |||||
Lymphocyte differentiation antigen CD38 | Enzyme | IC50 | 4.42 | CHEMBL | |||||
C-C chemokine receptor type 4 | GPCR | IC50 | 5 | CHEMBL | |||||
Xanthine dehydrogenase/oxidase | Enzyme | IC50 | 5.58 | CHEMBL | |||||
Arachidonate 12-lipoxygenase, 12S-type | Enzyme | IC50 | 6.36 | CHEMBL | |||||
Serine/threonine-protein kinase pim-1 | Kinase | Kd | 7.60 | CHEMBL | |||||
Tyrosine-protein kinase Lck | Kinase | IC50 | 4.89 | CHEMBL | |||||
Carbonic anhydrase 3 | Enzyme | Ki | 5.09 | CHEMBL | |||||
Tyrosine-protein kinase receptor UFO | Kinase | IC50 | 6.02 | CHEMBL | |||||
Estradiol 17-beta-dehydrogenase 2 | Enzyme | IC50 | 5.81 | CHEMBL | |||||
Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.66 | CHEMBL | |||||
C-X-C chemokine receptor type 1 | GPCR | IC50 | 5.35 | CHEMBL | |||||
Cyclin-dependent kinase 1/cyclin B | Kinase | IC50 | 4.12 | CHEMBL | |||||
Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 5.17 | CHEMBL | |||||
ATP-binding cassette sub-family G member 2 | Transporter | IC50 | 5.16 | CHEMBL | |||||
ALK tyrosine kinase receptor | Kinase | IC50 | 5.48 | CHEMBL | |||||
Carbonic anhydrase 14 | Enzyme | Ki | 5.27 | CHEMBL | |||||
Carbonic anhydrase 7 | Enzyme | Ki | 5.32 | CHEMBL | |||||
Carbonic anhydrase 1 | Enzyme | Ki | 5.57 | CHEMBL | |||||
Macrophage metalloelastase | Enzyme | IC50 | 4.99 | CHEMBL | |||||
Insulin-like growth factor 1 receptor | Kinase | IC50 | 6.52 | CHEMBL | |||||
Glycogen synthase kinase-3 beta | Kinase | IC50 | 5.70 | CHEMBL | |||||
Cholinesterase | Enzyme | Ki | 4.17 | CHEMBL | |||||
Aurora kinase B | Kinase | IC50 | 6.04 | CHEMBL | |||||
Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 4.92 | CHEMBL | |||||
Serine/threonine-protein kinase Nek6 | Kinase | IC50 | 5.37 | CHEMBL | |||||
Collagenase 3 | Enzyme | IC50 | 5.07 | CHEMBL | |||||
Lactoylglutathione lyase | Enzyme | IC50 | 5.49 | CHEMBL | |||||
Serine/threonine-protein kinase Nek2 | Kinase | IC50 | 5.24 | CHEMBL | |||||
Serine/threonine-protein kinase N1 | Kinase | IC50 | 5.24 | CHEMBL | |||||
Glycogen synthase kinase-3 | Kinase | IC50 | 5.68 | CHEMBL | |||||
Carbonic anhydrase 6 | Enzyme | Ki | 5.21 | CHEMBL | |||||
Aldose reductase | Enzyme | IC50 | 7.83 | CHEMBL | |||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Kinase | IC50 | 4.86 | CHEMBL | |||||
Glycogen phosphorylase, liver form | Enzyme | IC50 | 5.32 | CHEMBL | |||||
Tyrosine-protein kinase SYK | Kinase | IC50 | 4.70 | CHEMBL | |||||
Death-associated protein kinase 1 | Kinase | IC50 | 5.05 | CHEMBL | |||||
Aldose reductase | Enzyme | IC50 | 5.55 | CHEMBL | |||||
Cell division protein kinase 5 | Unclassified | EC50 | 4.20 | CHEMBL | |||||
Cationic trypsin | Enzyme | IC50 | 5.15 | CHEMBL | |||||
Carbonic anhydrase 13 | Enzyme | Ki | 5.04 | CHEMBL | |||||
Arachidonate 15-lipoxygenase | Enzyme | IC50 | 6.37 | CHEMBL | |||||
Beta-lactamase | Enzyme | IC50 | 5.40 | CHEMBL | |||||
Aldose reductase | Enzyme | IC50 | 4.30 | CHEMBL | |||||
Amine oxidase [flavin-containing] A | Enzyme | IC50 | 8 | CHEMBL | |||||
Arachidonate 5-lipoxygenase | Enzyme | IC50 | 6.70 | CHEMBL | |||||
Xanthine dehydrogenase/oxidase | Enzyme | Ki | 5.92 | CHEMBL | |||||
D-alanylalanine synthetase | Unclassified | IC50 | 4.70 | CHEMBL | |||||
Sialidase | Enzyme | IC50 | 5.77 | CHEMBL | |||||
Adenosine receptor A2a | GPCR | Ki | 5.16 | CHEMBL | |||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Enzyme | IC50 | 4.70 | CHEMBL | |||||
Amine oxidase [flavin-containing] B | Enzyme | IC50 | 4.70 | CHEMBL | |||||
Replicase polyprotein 1ab | Enzyme | IC50 | 5.09 | CHEMBL | |||||
Aldo-keto reductase family 1 member C21 | Enzyme | Ki | 4.96 | CHEMBL | |||||
Adenosine receptor A1 | GPCR | Ki | 5.61 | CHEMBL | |||||
Aldose reductase | Enzyme | IC50 | 6 | CHEMBL | |||||
Phosphodiesterase 2A | Unclassified | IC50 | 4.09 | CHEMBL | |||||
Cytosol aminopeptidase | Unclassified | IC50 | 4.46 | CHEMBL | |||||
Alcohol dehydrogenase [NADP(+)] | Enzyme | IC50 | 5.63 | CHEMBL | |||||
Integrase | Enzyme | IC50 | 6.22 | CHEMBL | |||||
Arginase | Enzyme | IC50 | 5.40 | CHEMBL | |||||
D-alanine--D-alanine ligase | Enzyme | Ki | 5.37 | CHEMBL | |||||
5'-nucleotidase | Enzyme | Ki | 7.34 | CHEMBL | |||||
Polyphenol oxidase 2 | Enzyme | IC50 | 4.51 | CHEMBL | |||||
Alcohol dehydrogenase [NADP(+)] | Enzyme | IC50 | 4.42 | CHEMBL | |||||
Glutathione reductase | Unclassified | IC50 | 4.31 | CHEMBL | |||||
Enoyl-acyl-carrier protein reductase | Enzyme | Ki | 7.66 | CHEMBL | |||||
3-oxoacyl-acyl-carrier protein reductase | Enzyme | IC50 | 5.27 | CHEMBL | |||||
Beta-hydroxyacyl-ACP dehydratase; Fatty acid synthesis protein | Enzyme | IC50 | 5.82 | CHEMBL | |||||
Malate dehydrogenase | Enzyme | IC50 | 5.22 | CHEMBL | |||||
Nitric oxide synthase, inducible | Enzyme | IC50 | 4.79 | CHEMBL | |||||
Neuraminidase | Enzyme | IC50 | 5.66 | CHEMBL |
ID | Source |
---|---|
4030654 | VUID |
N0000182642 | NUI |
C0034392 | UMLSCUI |
5346 | IUPHAR_LIGAND_ID |
CHEMBL50 | ChEMBL_ID |
9060 | RXNORM |
52130006 | SNOMEDCT_US |
126144003 | SNOMEDCT_US |
N0000167022 | NDFRT |
4030654 | VANDF |
N0000182642 | NDFRT |
007403 | NDDF |
9IKM0I5T1E | UNII |
5280343 | PUBCHEM_CID |
CHEBI:16243 | CHEBI |
DB04216 | DRUGBANK_ID |
D011794 | MESH_DESCRIPTOR_UI |
QUE | PDB_CHEM_ID |
None