Molecule Details
| InChIKey | XRXDAJYKGWNHTQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Quipazine |
| Canonical SMILES | c1ccc2nc(N3CCNCC3)ccc2c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.57 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19963 |
|---|---|
| Drug Name | Quipazine |
| CAS Number | 4774-24-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Quipazine is a small molecule drug. Quipazine has a monoisotopic molecular weight of 213.13 Da. |
Categories: Antidepressive Agents Antidepressive Agents, Second-Generation Central Nervous System Agents Central Nervous System Depressants Heterocyclic Compounds, Fused-Ring Neurotransmitter Agents Piperazines Psychotropic Drugs Quinolines Reproductive Control Agents Serotonin Agents Serotonin Receptor Agonists Uterotonic agents
Cross-references: BindingDB: 50014407 ChEBI: 93368 CHEMBL18772 ZINC: ZINC000000002020
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.5 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O95264 | HTR3B | 5-hydroxytryptamine receptor 3B | inhibitor | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | inhibitor | targets |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | inhibitor | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | inhibitor | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | inhibitor | targets |