General
Preferred name
VER-50589
Synonyms
VER50589 ()
VER 50589 ()
5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE ()
P&D ID
PD005736
CAS
747413-08-7
Tags
available
drug candidate
Drug indication
Breast cancer
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION VER-50589 is a Hsp90 inhibitor, with an IC50 of 21 nM and a Kd of 4.5 nM.
PRICE 133
DESCRIPTION VER-50589 is a potent HSP90 inhibitor. (TargetMol Bioactive Compound Library)
Cell lines
9
Organisms
0
Compound Sets
7
Cayman Chemical Bioactives
13132
DrugBank
DB06964
DrugMAP
DMFLZPC
EU-OPENSCREEN Bioactive Compound Library
EOS101636
MedChem Express Bioactive Compound Library
HY-15984
Selleckchem Bioactive Compound Library
ver-50589
TargetMol Bioactive Compound Library
T2258
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
388.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
3.83
TPSA
104.82
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Apoptosis
HSP
HSP90β
HSP90¦Â
HSP (HSP90)
MOA
HSP inhibitor
Therapeutic Class
Anticancer Agents
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Cytoskeletal Signaling
Metabolism
Source data