apafant

Ligand id: 1860

Name: apafant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 100.85
Molecular weight 455.12
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
International Nonproprietary Names
INN number INN
6369 apafant
Synonyms
WEB 2086 BS | WEB-2086
Database Links
CAS Registry No. 105219-56-5 (source: Scifinder)
ChEMBL Ligand CHEMBL280164
PubChem CID 65889
Search Google for chemical match using the InChIKey JGPJQFOROWSRRS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JGPJQFOROWSRRS
Search PubMed clinical trials apafant
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Search UniChem for chemical match using the InChIKey JGPJQFOROWSRRS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JGPJQFOROWSRRS
Comments
Apafant (WEB 2086 ) is a selective platelet-activating factor (PAF) receptor antagonist.