acumapimod   Click here for help

GtoPdb Ligand ID: 9203

Synonyms: BCT 197 | BCT-197 | BCT197 | compound A [WO2013139809]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 113.28
Molecular weight 385.15
XLogP 3.64
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1
Isomeric SMILES N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1
InChI InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9917 acumapimod
Synonyms Click here for help
BCT 197 | BCT-197 | BCT197 | compound A [WO2013139809]
Database Links Click here for help
CAS Registry No. 836683-15-9 (source: WHO INN record)
GtoPdb PubChem SID 315661279
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
Search PubMed titles acumapimod
Search PubMed titles/abstracts acumapimod
UniChem Compound Search for chemical match using the InChIKey VGUSQKZDZHAAEE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VGUSQKZDZHAAEE-UHFFFAOYSA-N