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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1812 | 25905-77-5 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAPK10,MAPK7,MARK4,NTRK2,PDK4,PRKDC,SIK2,SIK3,STK33,TTK | 24 | |||
| kinase-selectivity-class | BRAF,CAMK2D,FLT3,MAP3K21,MAPK7,MARK4,SIK2,SIK3,STK33,TTK | 10 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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None
None
None
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| Source | Code | Description |
|---|---|---|
| ATC | N06AX07 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Other antidepressants |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:38323 | cholinergic drug |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:50949 | serotonin uptake inhibitor |
| CHEBI has role | CHEBI:51039 | dopamine uptake inhibitor |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.08 | Basic |
| pKa2 | 4.32 | Basic |
| pKa3 | 0.81 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 4.77 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 4.07 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | IC50 | 4.77 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 4.07 | CHEMBL |
| ID | Source |
|---|---|
| D05039 | KEGG_DRUG |
| C0066561 | UMLSCUI |
| CHEBI:51038 | CHEBI |
| CHEMBL278819 | ChEMBL_ID |
| DB00805 | DRUGBANK_ID |
| C006149 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4199 | PUBCHEM_CID |
| 3503 | INN_ID |
| 25953-17-7 | SECONDARY_CAS_RN |
| 00U7GX0NLM | UNII |
| 236400 | RXNORM |
| 005843 | NDDF |
| 005844 | NDDF |
| CHEMBL1364551 | ChEMBL_ID |
| 00U7GX0NLM | INXIGHT DRUGS |
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