| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1637 | 27686-84-6 |
None
None
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 4, 1992 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | L01XX10 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS OTHER ANTINEOPLASTIC AGENTS Other antineoplastic agents |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D000975 | Antioxidants |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D016861 | Cyclooxygenase Inhibitors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D016859 | Lipoxygenase Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D020011 | Protective Agents |
| MeSH PA | D018689 | Sensory System Agents |
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:173084 | ferroptosis inhibitors |
| CHEBI has role | CHEBI:176497 | geroprotectors |
| CHEBI has role | CHEBI:25212 | metabolites |
| CHEBI has role | CHEBI:35526 | antidiabetic |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:35856 | lipoxygenase inhibitors |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Actinic keratosis | indication | 201101007 | DOID:8866 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.09 | acidic |
| pKa2 | 9.69 | acidic |
| pKa3 | 13.33 | acidic |
| pKa4 | 13.93 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Transthyretin | Secreted | EC50 | 5.14 | CHEMBL | |||||
| Estrogen receptor | Nuclear hormone receptor | IC50 | 4.65 | CHEMBL | |||||
| Androgen receptor | Nuclear hormone receptor | IC50 | 4.41 | CHEMBL | |||||
| Aromatase | Enzyme | IC50 | 7.96 | CHEMBL | |||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 7.60 | CHEMBL | |||||
| Insulin-like growth factor 1 receptor | Kinase | IC50 | 6.05 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 6.96 | CHEMBL | |||||
| Estradiol 17-beta-dehydrogenase 1 | Enzyme | IC50 | 5.26 | CHEMBL | |||||
| Estradiol 17-beta-dehydrogenase 2 | Enzyme | IC50 | 6.42 | CHEMBL | |||||
| Arachidonate 12-lipoxygenase, 12S-type | Enzyme | IC50 | 6.96 | CHEMBL | |||||
| Leukotriene B4 receptor 1 | GPCR | IC50 | 7.07 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily A member 1 | Ion channel | EC50 | 5.31 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase, type II | Enzyme | IC50 | 4.96 | CHEMBL | |||||
| Alpha-synuclein | Transporter | IC50 | 6.68 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 6.96 | CHEMBL | |||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 8 | CHEMBL | |||||
| Seed linoleate 13S-lipoxygenase-1 | Enzyme | IC50 | 6.74 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.30 | CHEMBL | |||||
| Zinc finger protein mex-5 | Cytosolic other | EC50 | 5.06 | CHEMBL | |||||
| 5-lipoxygenase | Enzyme | IC50 | 6.40 | CHEMBL | |||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 6.40 | CHEMBL | |||||
| Cyclooxygenase | Enzyme | IC50 | 4.85 | CHEMBL | |||||
| Lipoxygenase | Unclassified | IC50 | 4.29 | CHEMBL | |||||
| Cytoplasmic zinc-finger protein | Unclassified | EC50 | 4.58 | CHEMBL | |||||
| Fatty acid hydroperoxide lyase, chloroplastic | Enzyme | IC50 | 4.30 | CHEMBL |
| ID | Source |
|---|---|
| 4020556 | VUID |
| N0000179680 | NUI |
| D04862 | KEGG_DRUG |
| 4020556 | VANDF |
| C0733397 | UMLSCUI |
| CHEBI:73468 | CHEBI |
| CHEMBL313972 | ChEMBL_ID |
| CHEMBL52 | ChEMBL_ID |
| DB00179 | DRUGBANK_ID |
| D009637 | MESH_DESCRIPTOR_UI |
| 71398 | PUBCHEM_CID |
| 6615 | INN_ID |
| 7BO8G1BYQU | UNII |
| 227238 | RXNORM |
| 5024 | MMSL |
| 966 | MMSL |
| 004081 | NDDF |
| 108933006 | SNOMEDCT_US |
| 398929003 | SNOMEDCT_US |
None