INCB8761

Ligand id: 9032

Name: INCB8761

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 120.34
Molecular weight 568.24
XLogP 4.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Synonyms
compound 17 [PMID: 24900280] | INCB-8761 | PF-4136309 | PF4136309
Database Links
BindingDB Ligand 50382932
CAS Registry No. 1341224-83-6 (source: PubChem)
ChEMBL Ligand CHEMBL2029422
PubChem CID 11192346
Search Google for chemical match using the InChIKey ZNSVOHSYDRPBGI-CBQRAPNFSA-N
Search Google for chemicals with the same backbone ZNSVOHSYDRPBGI
Search UniChem for chemical match using the InChIKey ZNSVOHSYDRPBGI-CBQRAPNFSA-N
Search UniChem for chemicals with the same backbone ZNSVOHSYDRPBGI
Comments
INCB8761 is a CCR2 antagonist. Pharmacological targeting of the CCL2/CCR2 axis is predicted to be an effective immunotherapeutic strategy to reduce the inflammatory monocyte recruitment which appears to underlie pancreatic cancer progression [1].