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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sulpiride derivatives and analogues | 2541 | 53583-79-2 |
| Dose | Unit | Route |
|---|---|---|
| 1.20 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PIK3CB,PRKDC,TEK | 17 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 3.963 | High | 0.83 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| rat-kpuu-brain | Rat brain Kpuu | 0.036 | % | High | 0.83 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N05AL02 | NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Benzamides |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| MeSH PA | D018687 | Antidepressive Agents, Second-Generation |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.78 | acidic |
| pKa2 | 9.09 | Basic |
None
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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 | 8.57 | PDSP | |||||
| D(3) dopamine receptor | GPCR | Ki | 8.42 | PDSP |
| ID | Source |
|---|---|
| D02208 | KEGG_DRUG |
| 23694-17-9 | SECONDARY_CAS_RN |
| C0075630 | UMLSCUI |
| CHEBI:9356 | CHEBI |
| CHEMBL277945 | ChEMBL_ID |
| DB13273 | DRUGBANK_ID |
| D000077582 | MESH_DESCRIPTOR_UI |
| 5357 | PUBCHEM_CID |
| 3113 | INN_ID |
| AA0G3TW31W | UNII |
| 236185 | RXNORM |
| 005343 | NDDF |
| 005344 | NDDF |
| 717107003 | SNOMEDCT_US |
| AA0G3TW31W | INXIGHT DRUGS |
None