AMG319   Click here for help

GtoPdb Ligand ID: 8917

Synonyms: AMG 319 | AMG-319
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AMG319 is an inhibitor of phosphoinositide 3-kinase δ (PI3Kδ) inhibitor, with potential clinical anti-inflammatory utility [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 92.27
Molecular weight 385.15
XLogP 3.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccc2c(c1)nc(c(c2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccn1
Isomeric SMILES Fc1ccc2c(c1)nc(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccn1
InChI InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1
InChI Key KWRYMZHCQIOOEB-LBPRGKRZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
Synonyms Click here for help
AMG 319 | AMG-319
Database Links Click here for help
CAS Registry No. 1608125-21-8 (source: PubChem)
GtoPdb PubChem SID 310264698
PubChem CID 68947304
RCSB PDB Ligand 3VC
Search Google for chemical match using the InChIKey KWRYMZHCQIOOEB-LBPRGKRZSA-N
Search Google for chemicals with the same backbone KWRYMZHCQIOOEB
Search UniChem for chemical match using the InChIKey KWRYMZHCQIOOEB-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone KWRYMZHCQIOOEB
SynPHARM 83128 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)