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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2494 | 3286-46-2 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PIK3CB,PRKDC,STK33,TEK,TTK | 21 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | A11DA02 | ALIMENTARY TRACT AND METABOLISM VITAMINS VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12 Vitamin B1, plain |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.67 | Basic |
| pKa2 | 7.07 | Basic |
| pKa3 | 1.26 | Basic |
| pKa4 | 0.66 | Basic |
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| ID | Source |
|---|---|
| 4032901 | VUID |
| N0000189534 | NUI |
| D01319 | KEGG_DRUG |
| 4032901 | VANDF |
| C0075501 | UMLSCUI |
| CHEBI:31290 | CHEBI |
| CHEMBL1874002 | ChEMBL_ID |
| DB13416 | DRUGBANK_ID |
| C031331 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4827 | INN_ID |
| 42NCM1BW43 | UNII |
| 3002120 | PUBCHEM_CID |
| 37317 | RXNORM |
| 005898 | NDDF |
| 699182008 | SNOMEDCT_US |
| 714625004 | SNOMEDCT_US |
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