PP-242   Click here for help

GtoPdb Ligand ID: 5704

Synonyms: PP242 | TORKinib
PDB Ligand
Compound class: Synthetic organic
Comment: 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.
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 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 105.64
Molecular weight 308.14
XLogP 2.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C
Isomeric SMILES Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C
InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
InChI Key MFAQYJIYDMLAIM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
Synonyms Click here for help
PP242 | TORKinib
Database Links Click here for help
CAS Registry No. 1092351-67-1
ChEMBL Ligand CHEMBL1241674
GtoPdb PubChem SID 178102331
PubChem CID 135565635
RCSB PDB Ligand P2X
Search Google for chemical match using the InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MFAQYJIYDMLAIM
SynPHARM 81767 (in complex with mechanistic target of rapamycin)
UniChem Compound Search for chemical match using the InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
PP 242 (links to external site)
Cat. No. 4257