Molecule Details
| InChIKey | BATCTBJIJJEPHM-UHFFFAOYSA-N |
|---|---|
| Compound Name | PF 04457845 |
| Canonical SMILES | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12012 |
|---|---|
| Drug Name | PF-04457845 |
| CAS Number | 1020315-31-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | PF-04457845 is under investigation in Fear Conditioning. PF-04457845 has been investigated for the treatment of Tourette Syndrome and Cannabis Dependence. |
Categories: Amides
Cross-references: BindingDB: 50335377 CHEMBL1651534 ChemSpider: 26390839 PubChem:24771824 PubChem:347828330 Wikipedia: PF-04457845 ZINC: ZINC000066111849
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00519 | FAAH | Homo sapiens | Human | PF01425 | 8.1 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.4 | Ki | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.3 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |