PP1 analog II

Ligand id: 6028

Name: PP1 analog II

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 69.62
Molecular weight 331.18
XLogP 6.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms
1-naphthyl PP1 | AC1NP9I6 | mutant kinases inhibitor II | NM-PP1
Database Links
CAS Registry No. 221244-14-0
ChEBI CHEBI:52309
ChEMBL Ligand CHEMBL573578
PubChem CID 5154691
RCSB PDB Ligand 0JN
Search Google for chemical match using the InChIKey GDQXJQSQYMMKRA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GDQXJQSQYMMKRA
Search UniChem for chemical match using the InChIKey GDQXJQSQYMMKRA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GDQXJQSQYMMKRA
Comments
This compound is a potent inhibitor of several mutant kinase enzymes [3]. Also inhibits Src family kinases and c-Abl.