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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sulpiride derivatives and analogues | 1895 | 75272-39-8 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,TEK,TTK | 29 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,SIK2,SIK3,TEK | 10 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014149 | Tranquilizing Agents |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| CHEBI has role | CHEBI:35941 | serotonergic agonist |
| CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
| CHEBI has role | CHEBI:65191 | second generation antipsychotic |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.07 | acidic |
| pKa2 | 7.63 | Basic |
| pKa3 | 3.08 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | GPCR | Ki | 8.58 | CHEMBL | |||||
| D(3) dopamine receptor | GPCR | ANTAGONIST | Ki | 9.30 | IUPHAR | ||||
| D(4) dopamine receptor | GPCR | Kd | 9.68 | CHEMBL | |||||
| Transmembrane protein 97 | Enzyme | Ki | 8.14 | CHEMBL | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 6.27 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Ki | 9.80 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | IC50 | 7.31 | CHEMBL | |||||
| D(3) dopamine receptor | GPCR | Ki | 9.80 | CHEMBL |
| ID | Source |
|---|---|
| D01468 | KEGG_DRUG |
| C0217937 | UMLSCUI |
| CHEBI:31899 | CHEBI |
| AQD | PDB_CHEM_ID |
| CHEMBL20734 | ChEMBL_ID |
| C030265 | MESH_SUPPLEMENTAL_RECORD_UI |
| 156333 | PUBCHEM_CID |
| 983 | IUPHAR_LIGAND_ID |
| 6430 | INN_ID |
| Q88T5P3444 | UNII |
| Q88T5P3444 | INXIGHT DRUGS |
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