Molecule Details
| InChIKey | LLFOBMRPWNABCB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Culmerciclib |
| Canonical SMILES | CC(C)c1c2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2nn1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21600 |
|---|---|
| Drug Name | Culmerciclib |
| CAS Number | 2004705-28-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Culmerciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Culmerciclib is a cyclin dependant kinase inhibitor. Culmerciclib has a monoisotopic molecular weight of 446.23 Da. |
Cross-references: BindingDB: 50637886 CHEMBL5095094
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.8 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.9 | IC50 | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |