General
Preferred name
JNJ-40346527
Synonyms
JNJ-527 ()
edicotinib ()
Edicotinib(JNJ-40346527) ()
JNJ-40346527 HCI ()
EDICOTINIB HYDROCHLORIDE ()
P&D ID
PD046694
CAS
1142363-52-7
Tags
available
drug candidate
Drug indication
Hodgkin lymphoma
Drug Status
investigational
Max Phase
2.0
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 Edicotinib (PRV-6527; previously JNJ-40346527) was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. The chemical structure is compound I-S in patent US20140045789 . PubChem CID 25230468 is a tautomer which is also claimed in the patent. (GtoPdb)
DESCRIPTION JNJ-40346527 was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. JNJ-40346527 is compound I-S in patent US20140045789 . PubChem CID 25230468 is a tautomer which is also claimed in the patent. Clinical development of JNJ-40346527 was terminated in 2014 due to a lack of efficacy.
DESCRIPTION JNJ-40346527 was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. JNJ-40346527 is compound I-S in patent US20140045789 . PubChem CID 25230468 is a tautomer which is also covered by the patent. Clinical development of JNJ-40346527 was terminated in 2014 due to a lack of efficacy.
Compound Sets
11
Cayman Chemical Bioactives
33347
ChEMBL Drugs
CHEMBL3674570
CHEMBL4297225
DrugBank
DB12504
DrugMAP
DM219SF
EU-OPENSCREEN Bioactive Compound Library
EOS101336
Guide to Pharmacology
8942
MedChem Express Bioactive Compound Library
HY-109086
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
edicotinib
TargetMol Bioactive Compound Library
T15199
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
461.28
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
2
cLogP
5.97
TPSA
103.69
Fraction CSP3
0.56
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Target
FLT3
CSF-1R
KIT
c-Fms
Source data