General
Preferred name
IXABEPILONE
Synonyms
BMS 247550 ()
BMS 247550-1 ()
Azaepothilone B ()
Ixempra ()
BMS-247550 ()
7-Oxa-4-azabicyclo[14.1.0]heptadecane -5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)- ()
Aza-epothilone B ()
Ixabepilone (BMS-247550) ()
Azaepothilone B, BMS-247550, Ixempra, Aza-epothilone B ()
BMS 247550-01 ()
BMS-247550-01 ()
NSC-747973 ()
Ixempra Kit ()
P&D ID
PD004104
CAS
219989-84-1
Tags
natural product
drug
available
Approved by
FDA
First approval
2007
Drug Status
investigational
approved
Drug indication
Breast cancer
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
A pan tubulin inhibitor. This compound is an analogue of a natural substance produced by Sorangium cellulosum and acts to stabilise microtubules.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
4
Organisms
0
Compound Sets
23
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
JUMP-Target 1 Compound Set
MedChem Express Bioactive Compound Library
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Molecular Weight
506.28
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
4.05
TPSA
112.05
Fraction CSP3
0.74
Chiral centers
7.0
Largest ring
16.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
Anti-infection
Apoptosis
Cell Cycle/DNA Damage
cytoskeleton
Target
microtubule(tubulin stabilising)
TUBB
TUBB4B
Bacterial
Microtubule/Tubulin
Microtubule Associated
MOA
Microtubule Associated inhibitor
microtubule stabilizing agent
Indication
breast cancer
Biosynthetic Origin
Polyketide, Peptide (NRPS)
Therapeutic Indication
Anticancer
Source data
