Molecule Details
| InChIKey | PIMQWRZWLQKKBJ-SFHVURJKSA-N |
|---|---|
| Compound Name | Dinaciclib |
| Canonical SMILES | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 36 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12021 |
|---|---|
| Drug Name | Dinaciclib |
| CAS Number | 779353-01-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Dinaciclib has been used in trials studying the treatment of rrMM, rrCLL, rrDLBCL, Solid Tumors, and Solid Neoplasm, among others. |
Categories: Cyclin-Dependent Kinases, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring Pyridines
Cross-references: BindingDB: 50139171 ChEBI: 95060 CHEMBL2103840 ChemSpider: 25027387 PubChem:46926350 PubChem:347828337 Wikipedia: Dinaciclib ZINC: ZINC000034894449
Target Activities (36)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 9.0 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | IC50 | ChEMBL |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | IC50 | ChEMBL |
| Q14839 | CHD4 | Homo sapiens | Human | PF08074 PF06461 PF08073 PF00385 PF06465 PF00271 PF00628 PF00176 | 8.5 | Kd | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | IC50 | ChEMBL;BindingDB |
| O60583 | CCNT2 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q00613 | HSF1 | Homo sapiens | Human | PF00447 PF06546 | 8.2 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.9 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42330 | AKR1C3 | Homo sapiens | Human | PF00248 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 7.0 | Kd | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.9 | IC50 | ChEMBL |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.8 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.8 | IC50 | ChEMBL |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q15831 | STK11 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.2 | Kd | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL |