General
Preferred name
P005091
Synonyms
P5091 ()
P 005091 ()
P5091 (P005091) ()
P&D ID
PD010607
CAS
882257-11-6
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
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
ALDH1A2 inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
P005091 is a potent and selective inhibitor of ubiquitin-specific protease (USP) 7 (IC50 = 4.2 μM). P005091 induces elevated p53 and apoptosis in cancer cell lines and displays antiangiogenic activity in vivo. The deubiquitylating enzyme USP7 (HAUSP) sits at a critical node regulating the activities of numerous proteins broadly characterized as tumor suppressors, DNA repair proteins, immune responders, viral proteins, and epigenetic modulators. Aberrant USP7 activity may promote oncogenesis and viral disease making it a compelling target for therapeutic intervention.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
15
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
JUMP-MOA Compound Set
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
346.92
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
5.32
TPSA
60.21
Fraction CSP3
0.08
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Ubiquitination
Cell Cycle/DNA Damage
Target
USP7
USP7 inhibitor
Deubiquitinase
DUB
Primary Target
Deubiquitinating Enzymes
MOA
Inhibitor
Ubiquitin C-terminal Hydrolase Inhibitors 7 (USP7| HAUSP) Inhibitors
ubiquitin specific protease inhibitor
Ubiquitin C-terminal Hydrolase Inhibitors 7 (USP7
HAUSP) Inhibitors
Member status
member
Source data
