Molecule Details
| InChIKey | PRJHEJGMSOBHTO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-[(4-Chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione |
| Canonical SMILES | Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21710 |
|---|---|
| Drug Name | Zerencotrep |
| CAS Number | 1628287-16-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Zerencotrep is a small molecule drug. The usage of the INN stem '-cotrep' in the name indicates that Zerencotrep is a transient receptor potential canonical channel 5 (TRPC5) antagonist. Zerencotrep has a monoisotopic molecular weight of 524.11 Da. |
Categories: Heterocyclic Compounds, Fused-Ring Purines
Cross-references: BindingDB: 50519465 CHEMBL4466522 PDB: PJQ
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN4 | TRPC4 | Homo sapiens | Human | PF00023 PF12796 PF00520 PF08344 | 10.5 | IC50 | ChEMBL;BindingDB |
| P48995 | TRPC1 | Homo sapiens | Human | PF00520 PF08344 | 10.1 | IC50 | ChEMBL |
| Q9UL62 | TRPC5 | Homo sapiens | Human | PF00023 PF12796 PF00520 PF08344 | 9.3 | IC50 | ChEMBL;BindingDB |