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| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 1067 | 514-68-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,JAK2,KDR,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 38 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAP2K6,TEK,TGFBR1 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.11 | acidic |
| pKa2 | 4.71 | acidic |
| pKa3 | 11.13 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Transporter | Ki | 5.26 | CHEMBL | |||||
| Glucocorticoid receptor | Nuclear hormone receptor | Ki | 4.75 | CHEMBL | |||||
| Estrogen receptor | Nuclear hormone receptor | Ki | 9.32 | CHEMBL | |||||
| Estrogen receptor beta | Nuclear hormone receptor | EC50 | 9.90 | CHEMBL | |||||
| Corticosteroid-binding globulin | Secreted | Ki | 5 | CHEMBL | |||||
| Sex hormone-binding globulin | Secreted | Kd | 6.63 | CHEMBL | |||||
| Alpha-synuclein | Transporter | IC50 | 4.70 | CHEMBL | |||||
| Olfactory receptor 51E2 | GPCR | EC50 | 4.28 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.06 | CHEMBL | |||||
| Lanosterol 14-alpha demethylase | Enzyme | Kd | 4 | CHEMBL |
| ID | Source |
|---|---|
| CHEMBL193482 | ChEMBL_ID |
| C009341 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1558 | INN_ID |
| AS13K2DY03 | UNII |
| 24416 | RXNORM |
| 005975 | NDDF |
| C0059648 | UMLSCUI |
| CHEBI:135790 | CHEBI |
| 10577 | PUBCHEM_CID |
| AS13K2DY03 | INXIGHT DRUGS |
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