compound 8ic [PMID: 19081254]

Ligand id: 9478

Name: compound 8ic [PMID: 19081254]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 62.75
Molecular weight 467.33
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Synonyms
CCR4 Antagonist
Database Links
CAS Registry No. 864289-85-0 (source: PubChem)
ChEMBL Ligand CHEMBL508207
GtoPdb PubChem SID 329968418
PubChem CID 25141190
Search Google for chemical match using the InChIKey WYVBISCFCHREDA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WYVBISCFCHREDA
Search UniChem for chemical match using the InChIKey WYVBISCFCHREDA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WYVBISCFCHREDA
Comments
This Astellas Pharma compound 8ic is a potent competitive CCR4 antagonist. Oral administration showed anti-inflammatory activity in a murine model of acute dermatitis [1] (n.b. caution, there is no specificity data in this paper). There are some data links for the dichloride (PubChem CID 56972238).