Molecule Details
| InChIKey | GFMMXOIFOQCCGU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ci-1040 |
| Canonical SMILES | O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.48 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12429 |
|---|---|
| Drug Name | CI-1040 |
| CAS Number | 212631-79-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | CI-1040 has been used in trials studying the treatment of Lung Cancer, Breast Cancer, Breast Neoplasms, Pancreatic Cancer, and Colorectal Cancer, among others. |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates Calcium-Calmodulin-Dependent Protein Kinases
Cross-references: BindingDB: 50132260 ChEBI: 91353 CHEMBL105442 ChemSpider: 5293651 PubChem:6918454 PubChem:347828672 ZINC: ZINC000001489691
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.9 | IC50 | ChEMBL;BindingDB |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (15)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O00141 | SGK1 | Serine/threonine-protein kinase Sgk1 | inhibitor | targets |
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |
| P06239 | LCK | Tyrosine-protein kinase Lck | inhibitor | targets |
| P17252 | PRKCA | Protein kinase C alpha type | inhibitor | targets |
| P23443 | RPS6KB1 | Ribosomal protein S6 kinase beta-1 | inhibitor | targets |
| P28482 | MAPK1 | Mitogen-activated protein kinase 1 | inhibitor | targets |
| P31749 | AKT1 | RAC-alpha serine/threonine-protein kinase | inhibitor | targets |
| P45983 | MAPK8 | Mitogen-activated protein kinase 8 | inhibitor | targets |
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | inhibitor | targets |
| P53778 | MAPK12 | Mitogen-activated protein kinase 12 | inhibitor | targets |
| Q13233 | MAP3K1 | Mitogen-activated protein kinase kinase kinase 1 | inhibitor | targets |
| Q13464 | ROCK1 | Rho-associated protein kinase 1 | inhibitor | targets |
| Q15759 | MAPK11 | Mitogen-activated protein kinase 11 | inhibitor | targets |
| Q16539 | MAPK14 | Mitogen-activated protein kinase 14 | inhibitor | targets |
| Q9Y2U5 | MAP3K2 | Mitogen-activated protein kinase kinase kinase 2 | inhibitor | targets |