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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2318 | 136-70-9 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 65 | |||
| kinase-selectivity-class | ACVR2B,AXL,EIF2AK3,EPHB4,GRK2,MAP2K6 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | SANOFI AVENTIS US |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.97 | acidic |
| pKa2 | 12.82 | acidic |
| pKa3 | 13.52 | acidic |
| pKa4 | 8.15 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | GPCR | AGONIST | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| C0163026 | UMLSCUI |
| CHEBI:135413 | CHEBI |
| CHEMBL1201273 | ChEMBL_ID |
| CHEMBL1200893 | ChEMBL_ID |
| DB06814 | DRUGBANK_ID |
| C010312 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4969 | PUBCHEM_CID |
| 920 | INN_ID |
| 136-69-6 | SECONDARY_CAS_RN |
| 8Y5Y4EEO2V | UNII |
| 001781 | NDDF |
| 004719 | NDDF |
| 6260007 | SNOMEDCT_US |
| 782180003 | SNOMEDCT_US |
| 8Y5Y4EEO2V | INXIGHT DRUGS |
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