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| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 3248 | 522-40-7 |
| Dose | Unit | Route |
|---|---|---|
| 0.25 | g | O |
| 0.25 | g | P |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT1,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 74 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BMX,BRAF,CDK1,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,IKBKB,JAK1,JAK2,MAP2K6,MAPK7,MAPK8,PIK3CD,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 31 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | BAYER PHARMS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | L02AA04 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ENDOCRINE THERAPY HORMONES AND RELATED AGENTS Estrogens |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.91 | acidic |
| pKa2 | 1.51 | acidic |
| pKa3 | 5.96 | acidic |
| pKa4 | 6.56 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | AGONIST | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4017428 | VUID |
| N0000179139 | NUI |
| D00946 | KEGG_DRUG |
| 4017428 | VANDF |
| C0060692 | UMLSCUI |
| CHEBI:4532 | CHEBI |
| CHEMBL1200598 | ChEMBL_ID |
| C004955 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3032325 | PUBCHEM_CID |
| 1824 | INN_ID |
| A0E0NMA80F | UNII |
| 225040 | RXNORM |
| 1755 | MMSL |
| 4592 | MMSL |
| 001276 | NDDF |
| 395979004 | SNOMEDCT_US |
| A0E0NMA80F | INXIGHT DRUGS |
None