BMS-275183

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UQC681JJIV

Structure
InChI Key AHXICHPPXIGCBN-GPWPDEGDSA-N
Smile COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
InChI
InChI=1S/C43H59NO16/c1-21-24(57-35(50)28(47)31(38(3,4)5)44-36(51)59-39(6,7)8)19-43(53)33(58-34(49)23-16-14-13-15-17-23)30-41(11,32(48)29(56-22(2)45)27(21)40(43,9)10)25(46)18-26-42(30,20-55-26)60-37(52)54-12/h13-17,24-26,28-31,33,46-47,53H,18-20H2,1-12H3,(H,44,51)/t24-,25-,26+,28+,29+,30-,31+,33-,41+,42-,43+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H59NO16
Molecular Weight 845.94
AlogP 3.72
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 239.75
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 60.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Tubulin stabiliser PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 355113-98-3
ChEMBL CHEMBL4297268
DrugBank DB12144
FDA SRS UQC681JJIV
PubChem 6918594
SureChEMBL SCHEMBL13900214
CONTENTS