General
Preferred name
selonsertib
Synonyms
GS-4997 ()
Selonsertib (GS-4997) ()
P&D ID
PD050525
CAS
1448428-04-3
Tags
available
drug candidate
Drug indication
Diabetic nephropathy
Pulmonary arterial hypertension
Drug Status
investigational
Max Phase
Phase 3
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 Selonsertib is an orally bioavailable apoptosis signal-regulating kinase 1 (ASK1= mitogen-activated protein kinase kinase kinase 5, MAP3K5) inhibitor being investigated for its anti-fibrotic activity. It is compound I in patent US8742126 . Development as a treatment for nonalcoholic steatohepatitis (NASH) was unsuccessful. (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
16
AdooQ Bioactive Compound Library
A15991
Axon Medchem Screening Library
2956
Cayman Chemical Bioactives
20972
ChEMBL Drugs
CHEMBL3916717
Drug Repurposing Hub
DrugBank
DB14916
DrugMAP
DMNABMU
EU-OPENSCREEN Bioactive Compound Library
EOS101171
Guide to Pharmacology
9040
Mcule NIBR MoA Box Subset
MCULE-2187293989
MedChem Express Bioactive Compound Library
HY-18938
Novartis Chemogenetic Library (NIBR MoA Box)
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
selonsertib-gs-4997
TargetMol Bioactive Compound Library
T3350
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
445.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
4
cLogP
4.68
TPSA
90.52
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.47
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
MAPK/ERK Pathway
Target
ASK1
ASK1 inhibitor
MAP3K5
MAP3K
ASK
Member status
member
MOA
MAP3K5 inhibitor
MAP kinase activator
Source data