VINFLUNINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01CA05
UNII: 5BF646324K

Structure
InChI Key NMDYYWFGPIMTKO-KLCPSUAYSA-N
Smile 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
InChI
InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H54F2N4O8
Molecular Weight 816.94
AlogP 5.08
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 133.87
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 59.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Urogenital Neoplasms 3 D014565 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Carcinoma, Transitional Cell 2 D002295 ClinicalTrials
Penile Neoplasms 2 D010412 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 162652-95-1
ChEBI 90241
ChEMBL CHEMBL2110725
DrugBank DB11641
DrugCentral 3644
FDA SRS 5BF646324K
PubChem 10629256
ZINC ZINC000085537078
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