Molecule Details
| InChIKey | RHXHGRAEPCAFML-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ribociclib |
| Canonical SMILES | CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11730 |
|---|---|
| Drug Name | Ribociclib |
| CAS Number | 1211441-98-3 |
| Groups | approved investigational |
| ATC Codes | L01EF02 |
| Description | Ribociclib is a selective cyclin-dependent kinase inhibitor, a class of drugs that help slow the progression of cancer by inhibiting two proteins called cyclin-dependent kinase 4 and 6 (CDK4/6). These proteins, when over-activated, can enable cancer cells to grow and divide too quickly. Ribociclib w... |
Categories: Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cyclin-dependent kinase (CDK) inhibitors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Highest Risk QTc-Prolonging Agents Kinase Inhibitor Narrow Therapeutic Index Drugs Protein Kinase Inhibitors Pyridines QTc Prolonging Agents
Cross-references: BindingDB: 148264 CHEMBL3545110 ChemSpider: 30798107 Drugs Product Database (DPD): 22938 D10883 PDB: 6ZZ PharmGKB: PA166153470 PubChem:44631912 PubChem:347828089 RxCUI: 1873916 Wikipedia: Ribociclib ZINC: ZINC000072316335
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.6 | Kd | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.5 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.2 | Kd | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11802 | CDK4 | Cyclin-dependent kinase 4 | antagonist | targets |
| Q00534 | CDK6 | Cyclin-dependent kinase 6 | antagonist | targets |
| P11802 | CDK4 | Cyclin-dependent kinase 4 | inhibitor | targets |
| Q00534 | CDK6 | Cyclin-dependent kinase 6 | inhibitor | targets |