Molecule Details
| InChIKey | OEDSFMUSNZDJFD-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-Ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl)-6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo(2,3-c)pyridine-2-carboxamide |
| Canonical SMILES | CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19199 |
|---|---|
| Drug Name | ABBV-744 |
| CAS Number | 2138861-99-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 439497 CHEMBL4297454 ChemSpider: 67886372 PDB: HWV
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.5 | Ki | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.5 | Ki | ChEMBL;BindingDB |