compound 19 [PMID: 22142545]

Ligand id: 8758

Name: compound 19 [PMID: 22142545]

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 63.27
Molecular weight 326.17
XLogP 1.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholine
Database Links
ChEMBL Ligand CHEMBL1939914
GtoPdb PubChem SID 252827416
PubChem CID 44243146
RCSB PDB Ligand C1L
Search Google for chemical match using the InChIKey UBGXXNXAPLUDQK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UBGXXNXAPLUDQK
Search UniChem for chemical match using the InChIKey UBGXXNXAPLUDQK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UBGXXNXAPLUDQK
Comments
Compound 19 is one of the most potent phosphodiesterase 10A inhibitors developed in a SAR study to identify PDE10 inhibitors as potential schizophrenia pharmaceuticals [1]