Molecule Details
| InChIKey | XDJCLCLBSGGNKS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cc-401 |
| Canonical SMILES | c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12432 |
|---|---|
| Drug Name | CC-401 |
| CAS Number | 395104-30-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | CC-401 has been used in trials studying the treatment of Myeloid Leukemia. |
Categories: JNK Mitogen-Activated Protein Kinases, antagonists & inhibitors Pyrazoles
Cross-references: ChEBI: 91437 CHEMBL1614713 ChemSpider: 8605788 PubChem:10430360 PubChem:347828674 ZINC: ZINC000038836256
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | Ki | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | Ki | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | Ki | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.2 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.0 | Kd | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q9Y6M4 | CSNK1G3 | Homo sapiens | Human | PF12605 PF00069 | 7.0 | Kd | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 7.0 | Kd | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.5 | Kd | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.5 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |