PDE4 inhibitor 16

Ligand id: 10400

Name: PDE4 inhibitor 16

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.56
Molecular weight 378.19
XLogP 3.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-6,7-Dimethoxy-1-(2-(6-methyl-1H-indol-3-yl)ethyl)-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Comments
This compound has been reported as a selective inhibitor of phosphodiesterase 4 (PDE4) [1]. Chemically this compound is a synthetic tetrahydro-isoquinoline analogue of the naturally occurring plant alkaloid berberine (PubChem CID 2353).
Database Links
GtoPdb PubChem SID 384403679
RCSB PDB Ligand AKO
Search Google for chemical match using the InChIKey OIDQRHGTWLIKKZ-NRFANRHFSA-N
Search Google for chemicals with the same backbone OIDQRHGTWLIKKZ
Search UniChem for chemical match using the InChIKey OIDQRHGTWLIKKZ-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone OIDQRHGTWLIKKZ