General
Preferred name
Zelavespib
Synonyms
PU-H71 HCl(873436-91-0 Free base) ()
Zelavespib HCl ()
PU H71 ()
PU-H71 trihydrochloride ()
PU-H71 ()
Zelavespib (hydrochloride) ()
Zelavespib (formic) ()
PU-H71 (hydrochloride) ()
PU-H71 (formic) ()
NSC 750424 ()
Zelavespib (PU-H71) ()
PU-H71 HCl ()
PU-H71 (hydrate) ()
PU-H-71 ()
PU-H 71 ()
PUH-71 ()
P&D ID
PD010470
CAS
873436-91-0
2095432-24-7
1202865-65-3
Tags
available
drug candidate
Drug indication
Breast cancer
Myelofibrosis
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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
Zelavespib (PU-H71) is a potent Hsp90 inhibitor, with an IC50 of 51 nM in MDA-MB-468 cells.
PRICE
75
DESCRIPTION
PU-H71 is an effective selective HSP90 inhibitor with an IC50 of 51 nM.
PRICE
658
DESCRIPTION
Zelavespib formic (PU-H71 formic) is a potent Hsp90 inhibitor with an IC50 value of 51 nM for Hsp90 in MDA-MB-468 cells[1].
DESCRIPTION
GLI antagonist; inhibits Hedgehog (Hh) signaling
(Tocris Bioactive Compound Library)
DESCRIPTION
PU-H71 HCl (Zelavespib HCl) is a novel Hsp90 inhibitor, a novel purine-based analog, and a radiosensitizer that may be a promising agent for CIRT. PU-H71 HCL shows antitumor activity in many preclinical models of malignancy. PU-H71 HCL has an inhibitory effect on the protein expression levels of Rad51 and Ku70, which may be associated with the double chain break repair in the homologous recombination pathway and non-homologous end-joining pathway.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
0
Compound Sets
13
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Molecular Weight
512.05
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
3.28
TPSA
100.11
Fraction CSP3
0.39
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HSP90
RAD51
HSP90AA1
HSP90 inhibitor
HSP (HSP90)
HSP
Primary Target
Hsp90
MOA
Inhibitor
HSP inhibitor
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Cell Cycle/Checkpoint
Cytoskeletal Signaling
DNA Damage/DNA Repair
Metabolism
Source data
