General
Preferred name
VER-49009
Synonyms
CCT 129397 ()
VER 49009 ()
CCT0129397 ()
VER49009 ()
5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE ()
P&D ID
PD005133
CAS
558640-51-0
940289-57-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
387.1
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
3.57
TPSA
107.47
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
HSP
Cytoskeletal Signaling
Metabolism
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
HSP90
HSP90??
HSP90¦Â
HSP90AA1
HSP (HSP90)
MOA
HSP inhibitor
Source data
