IC-87114

Ligand id: 9376

Name: IC-87114

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.93
Molecular weight 397.17
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Synonyms
IC87114
Database Links
BindingDB Ligand 50323726
CAS Registry No. 371242-69-2 (source: PubChem)
ChEMBL Ligand CHEMBL1213082
PubChem CID 9908783
RCSB PDB Ligand IC8
Search Google for chemical match using the InChIKey GNWHRHGTIBRNSM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GNWHRHGTIBRNSM
Search UniChem for chemical match using the InChIKey GNWHRHGTIBRNSM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GNWHRHGTIBRNSM
Comments
IC-87114 is a selective inhibitor of PI3Kδ [1-2].
Given that PI3Kδ is preferentially expressed in cells of hemopoietic lineage and is involved in neutrophil chemotaxis we have tagged this ligand as having immunopharmacology relevance. Using this chemical tool in in vitro chemotaxis experiments reveals that PI3Kδ activity is required for the directional component of chemotaxis, but is not required for random movement [2].