Molecule Details
| InChIKey | XXJXHXJWQSCNPX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Darovasertib |
| Canonical SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16059 |
|---|---|
| Drug Name | Darovasertib |
| CAS Number | 1874276-76-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | IDE-196 is under investigation in clinical trial NCT03947385 (Study of IDE196 in Patients With Solid Tumors Harboring GNAQ/11 Mutations or PRKC Fusions). |
Cross-references: BindingDB: 251460 CHEMBL3982723 ChemSpider: 57617794 PDB: W39 ZINC: ZINC000584641445
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.4 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.5 | IC50 | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.2 | IC50 | ChEMBL |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.9 | IC50 | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.2 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.0 | IC50 | ChEMBL |