Molecule Details
| InChIKey | DNVXATUJJDPFDM-KRWDZBQOSA-N |
|---|---|
| Compound Name | JQ1 compound |
| Canonical SMILES | Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17021 |
|---|---|
| Drug Name | JQ1 |
| CAS Number | 1268524-70-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | First-in-class potent and selective inhibitor of the BRD4 signaling pathway.[A252967] |
Cross-references: BindingDB: 50365262 ChEBI: 137113 CHEMBL1957266 ChemSpider: 26323622 Wikipedia: JQ1 ZINC: ZINC000057318556
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.3 | IC50 | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.2 | IC50 | ChEMBL;BindingDB |
| P13500 | CCL2 | Homo sapiens | Human | PF00048 | 7.2 | IC50 | ChEMBL |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.7 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 6.5 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.5 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 6.5 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 6.5 | IC50 | ChEMBL |
| Q8NFT8 | DNER | Homo sapiens | Human | PF19330 PF00008 PF12661 | 6.3 | IC50 | ChEMBL;BindingDB |