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| Stem definition | Drug id | CAS RN |
|---|---|---|
| aromatase inhibitors, imidazole-triazole derivatives | 1126 | 102676-47-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,EIF2AK3,GRK2,PDK1,PDK2,PDK4,PRKDC | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D004965 | Estrogen Antagonists |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| MeSH PA | D047072 | Aromatase Inhibitors |
| MeSH PA | D065088 | Steroid Synthesis Inhibitors |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.74 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Aromatase | Enzyme | INHIBITOR | Ki | 10.30 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Cytochrome P450 11B1, mitochondrial | Enzyme | INHIBITOR | IC50 | 8.20 | CHEMBL | ||||
| Cytochrome P450 11B2, mitochondrial | Enzyme | INHIBITOR | IC50 | 9.10 | CHEMBL | ||||
| Cytochrome P450 11B2, mitochondrial | Enzyme | IC50 | 6.72 | CHEMBL |
| ID | Source |
|---|---|
| D02451 | KEGG_DRUG |
| C0117234 | UMLSCUI |
| CHEBI:747936 | CHEBI |
| 0T3 | PDB_CHEM_ID |
| CHEMBL9298 | ChEMBL_ID |
| DB16832 | DRUGBANK_ID |
| CHEMBL468419 | ChEMBL_ID |
| D017316 | MESH_DESCRIPTOR_UI |
| 59693 | PUBCHEM_CID |
| 8311 | IUPHAR_LIGAND_ID |
| 6632 | INN_ID |
| 102676-31-3 | SECONDARY_CAS_RN |
| H3988M64PU | UNII |
| H3988M64PU | INXIGHT DRUGS |
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