General
Preferred name
VS-4718
Synonyms
PND-1186 ()
SR-2516 ()
PND 1186 ()
PND1186 ()
VS-4718 (hydrochloride) ()
SR-2516 (hydrochloride) ()
PND-1186 (hydrochloride) ()
PND-1186 (VS-4718) ()
SR-2156 ()
P&D ID
PD003237
CAS
1061353-68-1
1356154-94-3
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
1.0
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 VS-4718 is an investigational, potent, reversible and orally active inhibitor of focal adhesion kinase (FAK; PTK2) . FAK inhibitors are being investigated for their anti-cancer effects due to the association of increased FAK expression with tumor progression, and the links between integrins and FAK in the adhesion pathways . (GtoPdb)
DESCRIPTION RIPK2 modulator; pro-drug of cRIPGM; orally bioavailable and brain penetrant (Tocris Bioactive Compound Library)
Cell lines
6
Organisms
0
Compound Sets
20
AdooQ Bioactive Compound Library
A13140
Axon Medchem Screening Library
2459
Cayman Chemical Bioactives
17668
ChEMBL Drugs
CHEMBL3040440
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB15273
DrugMAP
DMN9JCD
EU-OPENSCREEN Bioactive Compound Library
EOS101293
EUbOPEN Chemogenomics Library
EUB0000141
Guide to Pharmacology
8742
Kinase Inhibitors (best-in-class)
LINCS compound set
10384-101
Mcule NIBR MoA Box Subset
MCULE-1807963553
MedChem Express Bioactive Compound Library
HY-13917
HY-13917A
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
pnd-1186-vs-4718
TargetMol Bioactive Compound Library
T1950
Tocris Bioactive Compound Library
6891
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
501.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.79
TPSA
87.75
Fraction CSP3
0.28
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)
Target
FAK
FAK/PYK2 inhibitor
Apoptosis related,FAK
Kinase group
TK
Pathway
Angiogenesis
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Apoptosis
Protein Tyrosine Kinase/RTK
Primary Target
Focal Adhesion Kinase
MOA
Inhibitor
FAK inhibitor
focal adhesion kinase inhibitor
Member status
member
Recommended Cell Concentration
None
Source data