compound 2 [PMID: 22380603]

Ligand id: 8829

Name: compound 2 [PMID: 22380603]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 180.26
Molecular weight 528.16
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[5,4-e]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
Database Links
ChEMBL Ligand CHEMBL1338248
PubChem CID 1899750
Search Google for chemical match using the InChIKey HQWXZTRYIWULAX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HQWXZTRYIWULAX
Search UniChem for chemical match using the InChIKey HQWXZTRYIWULAX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HQWXZTRYIWULAX
Comments
Compound 2 is a sildenafil analogue, with inhibitory activity against the human ATP binding cassette (ABC) transporter ABCC5 [2], a protein which reportedly transports cGMP out of cells [1].