Molecule Details
| InChIKey | PDGKHKMBHVFCMG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Trilaciclib |
| Canonical SMILES | CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15442 |
|---|---|
| Drug Name | Trilaciclib |
| CAS Number | 1374743-00-6 |
| Groups | approved investigational |
| ATC Codes | V03AF12 |
| Description | Trilaciclib, or G1T28, is a CDK4 and CDK6 inhibitor, indicated to reduce the incidence of chemotherapy induced myelosuppression in patients before topotecan-containing or platinum and etoposide-containing chemotherapy for extensive stage small cell lung cancer.[L31828] CDK4 and CDK6 inhibitors have ... |
Categories: BCRP/ABCG2 Substrates Cyclin-Dependent Kinases, antagonists & inhibitors Cyclin-dependent Kinase 4 Inhibitors Cyclin-dependent Kinase 6 Inhibitors Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Detoxifying Agents for Antineoplastic Treatment Kinase Inhibitor MATE 1 Inhibitors MATE 2 Inhibitors MATE 2-K Inhibitors MATE inhibitors OCT2 Inhibitors P-glycoprotein substrates Protein Kinase Inhibitors
Cross-references: BindingDB: 253928 CHEMBL3894860 ChemSpider: 58825997 RxCUI: 2479690 Wikipedia: CDK_inhibitor
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.1 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 9.1 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P11802 | CDK4 | Cyclin-dependent kinase 4 | inhibitor | targets |
| P24941 | CDK2 | Cyclin-dependent kinase 2 | inhibitor | targets |
| P50613 | CDK7 | Cyclin-dependent kinase 7 | inhibitor | targets |
| P50750 | CDK9 | Cyclin-dependent kinase 9 | inhibitor | targets |
| Q00534 | CDK6 | Cyclin-dependent kinase 6 | inhibitor | targets |
| Q00535 | CDK5 | Cyclin-dependent kinase 5 | inhibitor | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |