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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3464 | 67-07-2 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 65 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,MAPK8,PIK3CD,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 23 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | C01EB06 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY OTHER CARDIAC PREPARATIONS Other cardiac preparations |
| MeSH PA | D002316 | Cardiotonic Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.09 | acidic |
| pKa2 | 2.62 | acidic |
| pKa3 | 5.14 | acidic |
| pKa4 | 11.41 | Basic |
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| ID | Source |
|---|---|
| C0031634 | UMLSCUI |
| CHEBI:17287 | CHEBI |
| XDC | PDB_CHEM_ID |
| CHEMBL1204644 | ChEMBL_ID |
| DB13191 | DRUGBANK_ID |
| D010725 | MESH_DESCRIPTOR_UI |
| 9548602 | PUBCHEM_CID |
| 020IUV4N33 | UNII |
| 020IUV4N33 | INXIGHT DRUGS |
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