Molecule Details
| InChIKey | GBABOYUKABKIAF-IELIFDKJSA-N |
|---|---|
| Compound Name | Vinorelbine |
| Canonical SMILES | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00361 |
|---|---|
| Drug Name | Vinorelbine |
| CAS Number | 71486-22-1 |
| Groups | approved investigational |
| ATC Codes | L01CA04 |
| Description | Vinorelbine is an anti-mitotic chemotherapy drug that is used in the treatment of several types of malignancies, including breast cancer and non-small cell lung cancer (NSCLC) [L1998]. It was initially approved in the USA in 1990's for the treatment of NSCLC [L2010]. It is a third-generation vinca a... |
Categories: Alkaloids Antimitotic Agents Antineoplastic Agents Antineoplastic Agents, Phytogenic Antineoplastic and Immunomodulating Agents Cardiotoxic antineoplastic agents Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Immunosuppressive Agents Indole Alkaloids Indoles Indolizidines Indolizines Mitosis Modulators Myelosuppressive Agents Narrow Therapeutic Index Drugs Neurotoxic agents Secologanin Tryptamine Alkaloids Tubulin Modulators Vinca Alkaloids
Cross-references: ChEBI: 480999 CHEMBL553025 ChemSpider: 4470974 Drugs Product Database (DPD): 11350 D08680 PharmGKB: PA451881 PubChem:44424639 PubChem:46507772 RxCUI: 39541 Therapeutic Targets Database: DAP000765 Wikipedia: Vinorelbine ZINC: ZINC000085536958
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 7.8 | IC50 | ChEMBL |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P28482 | MAPK1 | Mitogen-activated protein kinase 1 | activator | targets |
| P07437 | TUBB | Tubulin beta chain | antagonist | targets |
| P10415 | BCL2 | Apoptosis regulator Bcl-2 | downregulator | targets |
| P07437 | TUBB | Tubulin beta chain | inhibitor | targets |
| P27816 | P27816 | Microtubule-associated protein 4 | modulator | targets |