ixabepilone

Ligand id: 6824

Name: ixabepilone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 140.29
Molecular weight 506.28
XLogP 2.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2007))
IUPAC Name
(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione
International Nonproprietary Names
INN number INN
8390 ixabepilone
Synonyms
azaepothilone B | BMS 247550-1 | BMS-247550 | BMS-247550-01 | Ixempra®
Database Links
CAS Registry No. 219989-84-1
ChEMBL Ligand CHEMBL1201752
DrugBank Ligand DB04845
PubChem CID 6445540
Search Google for chemical match using the InChIKey FABUFPQFXZVHFB-PVYNADRNSA-N
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Search UniChem for chemical match using the InChIKey FABUFPQFXZVHFB-PVYNADRNSA-N
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Wikipedia Ixabepilone
Comments
A pan tubulin inhibitor. This compound is an analogue of a natural substance produced by Sorangium cellulosum and acts to stabilise microtubules.