Compound Detail
CHEMBL2110725
VINFLUNINE 💊 Approved Drug
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💊 Approved Drug
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL2110725 |
| Name | VINFLUNINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | NMDYYWFGPIMTKO-KLCPSUAYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
2
Known Names
17
Indications
1
Mechanisms
Molecular Properties
816.9
MW (Da)
5.08
ALogP
11
HBA
2
HBD
133.9
PSA (Ų)
0.19
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2009 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tubulin inhibitor | INHIBITOR | Tubulin | ✓ | ✓ |
Indications
Breast Neoplasms Breast Neoplasms Head and Neck Neoplasms Neoplasms Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Urogenital Neoplasms Carcinoma, Non-Small-Cell Lung Carcinoma, Transitional Cell Lung Neoplasms Penile Neoplasms Prostatic Neoplasms, Castration-Resistant Small Cell Lung Carcinoma Stomach Neoplasms
ATC Classification
L01CA05
vinflunine
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 40.0 | L/hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 80.0 | nM | 7.1 | Cytotoxicity against human A549 cells by SRB assay | 18653334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 23445405 | 10.1021/jm3009629 | SK-N-SH | 2 |
| 18653334 | 10.1016/j.bmcl.2008.07.025 | A549 | 1 |
| 38516587 | 10.1039/d3md00677h | ADMET | 1 |
Data from ChEMBL 36 via Core Engine