NF-kB activation inhibitor

Ligand id: 6012

Name: NF-kB activation inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 73.06
Molecular weight 356.16
XLogP 5.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
Synonyms
AG-F-89549 | EVP4593
Database Links
CAS Registry No. 545380-34-5
ChEMBL Ligand CHEMBL522502
PubChem CID 509554
Search Google for chemical match using the InChIKey IBAKVEUZKHOWNG-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey IBAKVEUZKHOWNG-UHFFFAOYSA-N
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Comments
This compound potently inhibits nuclear factor-κB (NFκB) activation and LPS-induced TNFα production [7]. Its discovery is reported in [7] where it is compound 11q.