GSK-7975A

Ligand id: 10088

Name: GSK-7975A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 67.15
Molecular weight 397.08
XLogP 4.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
Synonyms
example 36 [US20120053150A1] | GSK7975A
Comments
GSK-7975A was designed as a calcium-release activated calcium (CRAC) channel inhibitor [2]. The structure is claimed as Example 36 in Glaxo patent US20120053150A1 [1]. GSK-7975A inhibits (blocks) the Orai1 component of the CRAC channel complex [4].
Database Links
CAS Registry No. 1253186-56-9 (source: PubChem)
GtoPdb PubChem SID 381118798
PubChem CID 59547990
Search Google for chemical match using the InChIKey CPYTVBALBFSXSH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CPYTVBALBFSXSH
Search UniChem for chemical match using the InChIKey CPYTVBALBFSXSH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CPYTVBALBFSXSH