CRAC channel inhibitor 1 [PMID: 26256403]

Ligand id: 10041

Name: CRAC channel inhibitor 1 [PMID: 26256403]

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 41.13
Molecular weight 302.12
XLogP 4.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-chlorophenyl)-1-[1-(4-methylphenyl)propyl]urea
Comments
Inhibitor 1 inhibits the ORAI1 protein component of the CRAC channel [1]. The chemical structure represents a novel ORAI1-specific chemotype that is suitable for the development of more refined CRAC channel inhibitors.
Database Links
ChEMBL Ligand CHEMBL3923438
GtoPdb PubChem SID 375973229
PubChem CID 3509452
Search Google for chemical match using the InChIKey FKBYZUDELOWDJW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FKBYZUDELOWDJW
Search UniChem for chemical match using the InChIKey FKBYZUDELOWDJW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FKBYZUDELOWDJW