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| Stem definition | Drug id | CAS RN |
|---|---|---|
| nicotinic acid or nicotinoyl alcohol derivatives | 3602 | 70-19-9 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 68 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 27 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:25212 | metabolite |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:35679 | antilipemic drug |
| CHEBI has role | CHEBI:35821 | anticholesteremic drug |
| CHEBI has role | CHEBI:50247 | antidote |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:84087 | human urinary metabolite |
| CHEBI has role | CHEBI:84264 | EC 3.5.1.19 (nicotinamidase) inhibitor |
| CHEBI has role | CHEBI:145947 | antiatherosclerotic agent |
| CHEBI has role | CHEBI:231911 | renoprotective agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.03 | Basic |
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| ID | Source |
|---|---|
| 4017661 | VANDF |
| 4019440 | VANDF |
| C0076568 | UMLSCUI |
| CHEBI:134869 | CHEBI |
| NIO | PDB_CHEM_ID |
| CHEMBL2105483 | ChEMBL_ID |
| 6260 | PUBCHEM_CID |
| C005813 | MESH_SUPPLEMENTAL_RECORD_UI |
| F3B9JHL36W | UNII |
| 7393 | RXNORM |
| 2275 | MMSL |
| 43641 | MMSL |
| 5169 | MMSL |
| 7161 | MMSL |
| d00314 | MMSL |
| 001052 | NDDF |
| 273943001 | SNOMEDCT_US |
| 63639004 | SNOMEDCT_US |
| C0027996 | UMLSCUI |
| DB00627 | DRUGBANK_ID |
| 938 | PUBCHEM_CID |
| CHEBI:15940 | CHEBI |
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