PI-103

Ligand id: 5701

Name: PI-103

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 84.51
Molecular weight 348.12
XLogP 2.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol
Synonyms
compound 2 [PMID: 17601739] | PI 103 | PIK 103
Database Links
CAS Registry No. 371935-74-9
ChEMBL Ligand CHEMBL573339
PubChem CID 9884685
RCSB PDB Ligand X6K
Search Google for chemical match using the InChIKey TUVCWJQQGGETHL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TUVCWJQQGGETHL
Search UniChem for chemical match using the InChIKey TUVCWJQQGGETHL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TUVCWJQQGGETHL
SynPHARM 80974 (in complex with mechanistic target of rapamycin)
Comments
The discovery of PI-103 is described in [5], where it is compound 10e. It was originally identified as a PI3Kα/β inhibitor, but has subsequently been found to inhibit catalytic activity of all four PI3K subunits (α, β, γ and δ) [8].