Molecule Details
| InChIKey | YCVGLKWJKIKVBI-MJGOQNOKSA-N |
|---|---|
| Compound Name | Samuraciclib |
| Canonical SMILES | CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.45 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16061 |
|---|---|
| Drug Name | Samuraciclib |
| CAS Number | 1805833-75-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Samuraciclib is under investigation in clinical trial NCT03363893 (Modular Study to Evaluate CT7001 Alone in Cancer Patients With Advanced Malignancies). |
Cross-references: CHEMBL4297488 ChemSpider: 59053821 PDB: I74 ZINC: ZINC000584905775
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.5 | Ki | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 8.5 | Ki | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.6 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P50613 | CDK7 | Cyclin-dependent kinase 7 | inhibitor | targets |