CGI1746

Ligand id: 8066

Name: CGI1746

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 90.98
Molecular weight 579.28
XLogP 7.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
Synonyms
CGI 1746 | CGI-1746
Database Links
CAS Registry No. 910232-84-7
ChEMBL Ligand CHEMBL1230541
PubChem CID 24857323
RCSB PDB Ligand 746
Search Google for chemical match using the InChIKey JIFCFQDXHMUPGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JIFCFQDXHMUPGP
Search UniChem for chemical match using the InChIKey JIFCFQDXHMUPGP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JIFCFQDXHMUPGP
SynPHARM 81122 (in complex with Bruton tyrosine kinase)
Comments
CGI1746 is a potent and highly selective small-molecule inhibitor of the Tec family kinase, Bruton agammaglobulinemia tyrosine kinase (BTK) [1].