Molecule Details
| InChIKey | ZIWFCOIGUNPHPM-HKUYNNGSSA-N |
|---|---|
| Compound Name | CP-122721 |
| Canonical SMILES | COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05421 |
|---|---|
| Drug Name | CP-122721 |
| CAS Number | 145742-28-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | CP-122721, neurokinin 1 (NK1) antagonist is developed by Pfizer to treat depression, emesis, and inflammatory diseases including asthma and irritable bowel syndrome. |
Cross-references: BindingDB: 50067935 CHEMBL319118 ChemSpider: 7996966 PubChem:9821217 PubChem:347827729 ZINC: ZINC000022441997
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25103 | TACR1 | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.7 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.7 | Ki | ChEMBL |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P25103 | TACR1 | Substance-P receptor | antagonist | targets |