PCA 4248

Ligand id: 6080

Name: PCA 4248

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 89.93
Molecular weight 361.13
XLogP 5.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms
PCA-4248 | PTEMC
Database Links
CAS Registry No. 123875-01-4
ChEMBL Ligand CHEMBL1395565
PubChem CID 4698
Search Google for chemical match using the InChIKey DHCNAWNKZMNTIS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DHCNAWNKZMNTIS
Search UniChem for chemical match using the InChIKey DHCNAWNKZMNTIS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DHCNAWNKZMNTIS
Comments
PCA 4248 is a PAF receptor antagonist.