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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1907 | 51-12-7 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 2.27 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK1,GRK2,GRK3,GSK3B,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAPK1,MAPK12,MAPK7,MAPK9,MARK4,NTRK2,PAK4,PDK1,PDK2,PDK4,PIK3CB,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 44 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DYRK1B,EPHB4,ERBB2,GRK2,MARK4,PRKCD,SIK2 | 10 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | N06AF02 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Monoamine oxidase inhibitors, non-selective |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D008996 | Monoamine Oxidase Inhibitors |
| MeSH PA | D011619 | Psychotropic Drugs |
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:23357 | cofactor |
| CHEBI has role | CHEBI:25212 | metabolites |
| CHEBI has role | CHEBI:61115 | histone deacetylase inhibitors |
| CHEBI has role | CHEBI:62913 | PARP |
| CHEBI has role | CHEBI:63726 | neuroprotective agents |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agents |
| CHEBI has role | CHEBI:71181 | Sir2 inhibitors |
| CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
| CHEBI has role | CHEBI:75772 | S. cerevisiae metabolites |
| CHEBI has role | CHEBI:76971 | Escherichia coli metabolites |
| CHEBI has role | CHEBI:84087 | human urinary metabolites |
| CHEBI has role | CHEBI:176497 | geroprotectors |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.18 | acidic |
| pKa2 | 12.9 | acidic |
| pKa3 | 3.65 | Basic |
| pKa4 | 0.0 | Basic |
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| ID | Source |
|---|---|
| N0000167319 | NUI |
| D07337 | KEGG_DRUG |
| C0027999 | UMLSCUI |
| CHEBI:94510 | CHEBI |
| CHEMBL1256841 | ChEMBL_ID |
| DB04820 | DRUGBANK_ID |
| D009526 | MESH_DESCRIPTOR_UI |
| 4472 | PUBCHEM_CID |
| 899 | INN_ID |
| T2Q0RYM725 | UNII |
| 7394 | RXNORM |
| 001494 | NDDF |
| 49313009 | SNOMEDCT_US |
| T2Q0RYM725 | INXIGHT DRUGS |
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