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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sympathomimetics | 2030 | 15687-41-9 |
| Dose | Unit | Route |
|---|---|---|
| 40 | mg | O |
| 40 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 85 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 42 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,EIF2AK3,EPHB4,GRK2,PDK4,SIK2 | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01DX03 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Other vasodilators used in cardiac diseases |
| ATC | C01DX53 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Other vasodilators used in cardiac diseases |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D002316 | Cardiotonic Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.85 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000166832 | NUI |
| D01233 | KEGG_DRUG |
| 16777-42-7 | SECONDARY_CAS_RN |
| C0030053 | UMLSCUI |
| CHEBI:135343 | CHEBI |
| CHEMBL1651913 | ChEMBL_ID |
| DB13398 | DRUGBANK_ID |
| D010099 | MESH_DESCRIPTOR_UI |
| 5489013 | PUBCHEM_CID |
| 1975 | INN_ID |
| DWL616XF1K | UNII |
| 236758 | RXNORM |
| 006755 | NDDF |
| 006756 | NDDF |
None