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| Stem definition | Drug id | CAS RN |
|---|---|---|
| nicotinic acid or nicotinoyl alcohol derivatives | 1908 | 27367-90-4 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 39 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,PRKCD,SIK2,SIK3,STK33 | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | N05CM16 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Other hypnotics and sedatives |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.17 | acidic |
| pKa2 | 7.92 | Basic |
| pKa3 | 3.09 | Basic |
| pKa4 | 0.75 | Basic |
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| ID | Source |
|---|---|
| D07333 | KEGG_DRUG |
| 34426-53-4 | SECONDARY_CAS_RN |
| C0068673 | UMLSCUI |
| CHEBI:135505 | CHEBI |
| CHEMBL2105141 | ChEMBL_ID |
| DB13687 | DRUGBANK_ID |
| C021062 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71919 | PUBCHEM_CID |
| 2817 | INN_ID |
| R2H3YN6E3L | UNII |
| 31722 | RXNORM |
| 005813 | NDDF |
| 713432007 | SNOMEDCT_US |
| R2H3YN6E3L | INXIGHT DRUGS |
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