General
Preferred name
NEXTURASTAT A
Synonyms
P&D ID
PD010301
CAS
1403783-31-2
Tags
available
drug candidate
Drug indication
Discovery agent
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
Nexturastat A is a potent and selective HDAC6 inhibitor .
(GtoPdb)
DESCRIPTION
Nexturastat A is a potent, selective HDAC6 inhibitor. Nexturastat A has inhibitory for HDAC6 with an IC50 of 5 nM. Nexturastat A can be used for the research of multiple myeloma (MM)[1][2].
PRICE
99
DESCRIPTION
Nexturastat A is an aryl urea derivative that acts as a potent and highly selective inhibitor of histone deacetylase 6 (HDAC6) (IC50= 5.02 +/- 0.60 nM). Nexturastat A possesses antiproliferative effects against melanoma cells. Histone deacetylases (HDACs) mediate regulation of gene expression via changes in nucleosome conformation. Dysregulation of histone acetylation can lead to the development of cancers. There is renewed interest in capitalizing new breakthroughs in epigenetic research to address oncology therapy.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Nexturastat A is an effective and specific HDAC6 inhibitor (IC50: 5 nM). Its selectivity is >190-fold than other HDACs.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
13
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Probe Miner (suitable probes)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
96
Molecular Weight
341.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
3.64
TPSA
81.67
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HDAC
HDAC6
HDAC1, HDAC6
HDAC6 inhibitor
MOA
HDAC inhibitor
Pathway
Cell Cycle/DNA Damage
Epigenetics
Chromatin/Epigenetic
DNA Damage/DNA Repair
Recommended Cell Concentration
None
Source data
