bentamapimod

Ligand id: 9926

Name: bentamapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 112.4
Molecular weight 457.16
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8919 bentamapimod
Synonyms
AS-602801 | AS602801 | PGL-5001 | PGL5001
Comments
Bentamapimod (a.k.a. PGL-5001 and AS602801) is novel and orally active Jun kinase inhibitor (JNK1= MAPK8 and JNK2= MAPK9). It has shown preclinical efficacy that may be applied to the treatment of endometriotic lesions [1,3]. It also inhibits cancer stem cells in vitro and in vivo [2]. It was originally developed by Merck Seroneo (JNK-I AS602801) and then in-licensed by PregLem and re-named PGL5001 (PGL5 may also be used).
Database Links
CAS Registry No. 848344-36-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545213
GtoPdb PubChem SID 363894220
PubChem CID 10195250
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