Galapagos MAPKAPK5 inhibitor D

Ligand id: 9848

Name: Galapagos MAPKAPK5 inhibitor D

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 117.82
Molecular weight 460.23
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[8-[4-(4-tert-butylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
Synonyms
compound 183 [WO2007138072A2]
Comments
This compound was developed by Galapagos as a MAPKAPK5 inhibitor, in the search for a novel anti-inflammatory mechanism that would be applicable to the treatment of rheumatoid arthritis (RA). The discovery pathway is detailed in the pdf entitled 'Discovery of inhibitors of MAPKAPK5, a novel target for rheumatoid arthritis', which is available online here. The chemical structure is claimed in Galapagos patent WO2007138072A2, as compound 183 [2]. This compound (compound D) is likely to be a relation of the Galapagos clinical candidate GLPG0259, which failed in Phase 2 clinical trial in patients with methotrexate-refractory RA [3].
Database Links
GtoPdb PubChem SID 363894142
PubChem CID 57589985
Search Google for chemical match using the InChIKey DLGZLIXYVSQGOX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DLGZLIXYVSQGOX
Search UniChem for chemical match using the InChIKey DLGZLIXYVSQGOX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DLGZLIXYVSQGOX