PP-242

Ligand id: 5704

Name: PP-242

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 105.64
Molecular weight 308.14
XLogP 1.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
Synonyms
PP242 | TORKinib
Database Links
CAS Registry No. 1092351-67-1
ChEMBL Ligand CHEMBL1241674
PubChem CID 25243800
RCSB PDB Ligand P2X
Search Google for chemical match using the InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MFAQYJIYDMLAIM
Search UniChem for chemical match using the InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MFAQYJIYDMLAIM
SynPHARM 81767 (in complex with mechanistic target of rapamycin)
Comments
PP-242 is a selective mTOR inhibitor, which inhibits both mTOR containing protein complexes, mTORC1 and mTORC2. The discovery of PP-242 is described in [1], where it is compound 13.
PubChem entry CID 57347681 represents an alternative tautomer of this compound.