General
Preferred name
CEP-37440
Synonyms
BMS986165 ()
CEP-37440 ()
Alk-fak inhibitor cep-37440 ()
P&D ID
PD057153
CAS
1391712-60-9
Tags
available
drug candidate
Drug indication
Neoplasm
Solid tumour/cancer
Drug Status
investigational
Max Phase
1.0
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
BMS986165 was originally identified as a selective dual FAK (PTK2)/ALK inhibitor (CEP-37440) , and has since been identified as a negative allosteric modulator selective for TYK2 with potent anti-inflammatory action in preclinical models of SLE and IBD (meeting abstract reports only to date, no peer reviewed publication available e.g. this 2016 abstract from Gillooly et al. BMS-986165 Is a Highly Potent and Selective Allosteric Inhibitor of Tyk2.......). This abstract reports a Ki of 0.02 nM for BMS986165 binding to the pseudokinase domain of TYK2.
DESCRIPTION
CEP-37440 is an orally available, dual focal adhesion kinase (FAK) and anaplastic lymphoma kinase (ALK) inhibitor . The chemical structure is claimed in patent US20170369451 . The compound is an oncology lead candidate .
Note that this entry has been updated to reflect an error in the article that initially attributed this chemical structure to the compound BMS-986165 (online corrected article , erratum described in ). The structure of BMS-986165 has not in fact been disclosed. (GtoPdb)
Note that this entry has been updated to reflect an error in the article that initially attributed this chemical structure to the compound BMS-986165 (online corrected article , erratum described in ). The structure of BMS-986165 has not in fact been disclosed. (GtoPdb)
DESCRIPTION
CEP-37440 is a potent, orally active dual FAK/ALK inhibitor with IC50 values of 2.3 nM and 3.5 nM for FAK and ALK, respectively. CEP-37440 decreases the cell proliferation by blocking the autophosphorylation kinase activity of FAK1 (Tyr 397)[1][2].
DESCRIPTION
CEP-37440 is an orally available dual kinase inhibitor of the receptor tyrosine kinase anaplastic lymphoma kinase (ALK) and focal adhesion kinase (FAK), with potential antineoplastic activity. Upon administration, ALK-FAK inhibitor CEP-37440 selectively binds to and inhibits ALK kinase and FAK kinase. The inhibition leads to disruption of ALK- and FAK-mediated signal transduction pathways and eventually inhibits tumor cell growth in ALK- and FAK-overexpressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development; its dysregulation and gene rearrangements are associated with a variety of tumors. The cytoplasmic tyrosine kinase FAK, a signal transducer for integrins, is upregulated and constitutively activated in various tumor types; it plays a key role in tumor cell migration, proliferation, survival, and tumor angiogenesis.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
579.27
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
5
Aromatic Ring Count
3
cLogP
3.84
TPSA
114.88
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
7.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Ligand for Target Protein
ALK
Anaplastic lymphoma kinase (ALK)
FAK
MOA
ALK tyrosine kinase receptor inhibitor
Pathway
Protein Tyrosine Kinase/RTK
Source data
