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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110725
CHEMBL2110725
Compound Name VINFLUNINE
ChEMBL Synonyms VINFLUNINE | BMS-710485 | Javlor | F-12158 | VINFLUNINE DITARTRATE
Max Phase 4 (Approved)
Trade Names Javlor
Molecular Formula C45H54F2N4O8

Additional synonyms for CHEMBL2110725 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)[C ...
Download SMILES
Standard InChI InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51) ...
Download InChI
Standard InChI Key NMDYYWFGPIMTKO-KLCPSUAYSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2110725

Molecule Features

CHEMBL2110725 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Urogenital NeoplasmsD014565EFO:0003863urogenital neoplasm3ClinicalTrials
Carcinoma, Transitional CellD002295EFO:1000601Transitional Cell Carcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Penile NeoplasmsD010412EFO:1001094penile neoplasm2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma3ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm3ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
Stomach NeoplasmsD013274EFO:0003897stomach neoplasm2ClinicalTrials

Clinical Data

ClinicalTrials.gov VINFLUNINE
The Cochrane Collaboration VINFLUNINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
816.9 816.391 5.08 7 133.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 2 3 12 2 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.36 7.25 6.04 5.76 3 59 0.19

Structural Alerts

There are 4 structural alerts for CHEMBL2110725. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01C - PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CA - Vinca alkaloids and analogues
L01CA05 - vinflunine

ChemSpider ChemSpider:NMDYYWFGPIMTKO-KLCPSUAYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110725



ChEBI 90241
DrugBank DB11641
DrugCentral 3644
FDA SRS 5BF646324K
Metabolights MTBLC90241
MolPort MolPort-046-418-566
PubChem 10629256
PubChem: Thomson Pharma 15659625 24902614
ZINC ZINC000085537078

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NMDYYWFGPIMTKO-KLCPSUAYSA-N spacer
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