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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 222 | 117-37-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 56 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,ERBB2,GRK2,PDK4,STK33,TTK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 5, 1957 | FDA | SCHERING |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:50249 | anticoagulant |
| CHEBI has role | CHEBI:55347 | vitamin K antagonist |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.96 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Vitamin K-dependent gamma-carboxylase | Enzyme | INHIBITOR | DRUGBANK | CHEMBL | |||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 5.04 | CHEMBL |
| ID | Source |
|---|---|
| 4018805 | VUID |
| N0000147108 | NUI |
| D07457 | KEGG_DRUG |
| 17941 | RXNORM |
| C0051919 | UMLSCUI |
| CHEBI:133809 | CHEBI |
| CHEMBL712 | ChEMBL_ID |
| DB01125 | DRUGBANK_ID |
| C010679 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2197 | PUBCHEM_CID |
| 6960 | IUPHAR_LIGAND_ID |
| 854 | INN_ID |
| S747T1ERAJ | UNII |
| 1255 | MMSL |
| 4203 | MMSL |
| d00519 | MMSL |
| A1AT0 | PDB_CHEM_ID |
| 4018805 | VANDF |
| 002091 | NDDF |
| 38122009 | SNOMEDCT_US |
| 397228002 | SNOMEDCT_US |
| S747T1ERAJ | INXIGHT DRUGS |
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