General
Preferred name
GSK3145095
Synonyms
5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide ()
P&D ID
PD055070
CAS
1622849-43-7
Tags
available
drug candidate
Drug indication
Pancreatic cancer
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 GSK3145095 is a RIP1 kinase inhibitor with an IC50 of 6.3 nM [1].
PRICE 320
DESCRIPTION GSK3145095 is an orally bioavailable receptor-interacting serine/threonine-protein kinase 1 (RIPK1) inhibitor . It was developed for potential antineoplastic and immunomodulatory activities, but development was terminated at Phase 2. (GtoPdb)
DESCRIPTION GSK3145095 is an orally active inhibitor of RIPK1 with IC50 of 5 nM, with potential immunomodulatory activities and antineoplastic. (TargetMol Bioactive Compound Library)
Compound Sets
6
DrugMAP
DM059OH
Guide to Pharmacology
12245
MedChem Express Bioactive Compound Library
HY-111946
ReFrame library
Selleckchem Bioactive Compound Library
gsk3145095
TargetMol Bioactive Compound Library
T15437
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
397.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
2.36
TPSA
99.77
Fraction CSP3
0.2
Chiral centers
1.0
Largest ring
7.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
NF-κB
Target
RIP Kinase
RIP1
Source data