acumapimod

Ligand id: 9203

Name: acumapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 113.8
Molecular weight 385.15
XLogP 3.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
International Nonproprietary Names
INN number INN
9917 acumapimod
Synonyms
BCT 197 | BCT-197 | BCT197 | compound A [WO2013139809]
Database Links
CAS Registry No. 836683-15-9 (source: WHO INN record)
PubChem CID 11338127
Search Google for chemical match using the InChIKey VGUSQKZDZHAAEE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VGUSQKZDZHAAEE
Search PubMed clinical trials acumapimod
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Search PubMed titles/abstracts acumapimod
Search UniChem for chemical match using the InChIKey VGUSQKZDZHAAEE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VGUSQKZDZHAAEE
Comments
Acumapimod (BCT-197) is an orally active p38 mitogen activated protein kinase inhibitor with potential anti-inflammatory action. This compound is claimed in patent WO2013139809 [1] and in patent WO2005009973 as EXAMPLE 52 [2].