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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 237 | 128470-16-6 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 85 | |||
| kinase-selectivity-class | ACVR2B,ACVRL1,AXL,CDK4,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK12,MAPK7,MAPK8,PLK2,SIK2,STK33,SYK,TEK,TGFBR1 | 19 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 12, 1997 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | C01CA22 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Adrenergic and dopaminergic agents |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D002316 | Cardiotonic Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:35522 | β-adrenergic agonist |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:38147 | cardiotonic drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Cardiac Function Studies | indication | ||
| Tachyarrhythmia | contraindication | 6285003 | |
| Cardiac pacemaker, device | contraindication | 14106009 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Chronic heart failure | contraindication | 48447003 | |
| Supraventricular arrhythmia | contraindication | 72654001 | |
| Idiopathic hypertrophic subaortic stenosis | contraindication | 360465008 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Acute coronary syndrome | contraindication | 394659003 | |
| Hypertensive urgency | contraindication | 443482000 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.97 | acidic |
| pKa2 | 10.65 | acidic |
| pKa3 | 12.82 | acidic |
| pKa4 | 13.76 | acidic |
| pKa5 | 8.7 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | AGONIST | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| 4024125 | VUID |
| N0000022130 | NUI |
| D02976 | KEGG_DRUG |
| 236829 | RXNORM |
| C0172021 | UMLSCUI |
| CHEBI:50580 | CHEBI |
| CHEMBL1201251 | ChEMBL_ID |
| CHEMBL1200385 | ChEMBL_ID |
| DB01102 | DRUGBANK_ID |
| C076559 | MESH_SUPPLEMENTAL_RECORD_UI |
| 60789 | PUBCHEM_CID |
| 6757 | INN_ID |
| 125251-66-3 | SECONDARY_CAS_RN |
| B07L15YAEV | UNII |
| 11526 | MMSL |
| 4216 | MMSL |
| d04216 | MMSL |
| 4021117 | VANDF |
| 4024125 | VANDF |
| 006945 | NDDF |
| 006946 | NDDF |
| B07L15YAEV | INXIGHT DRUGS |
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