KMUP-1

Ligand id: 8896

Name: KMUP-1

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 68.3
Molecular weight 402.16
XLogP 3.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Synonyms
KMUP 1
Comments
KMUP-1 is a novel xanthine-based activator of soluble guanylyl cyclase (sGC) (acts to enhance cGMP levels) reported to be useful clinically for tracheal relaxation [1]. It also has anti-inflammatory actions. Studies in aninals suggest this compound may also be a candidate for clinical investigation as a treatment for pulmonary arterial hypertension [2] or erectile dysfunction [3].
Database Links
CAS Registry No. 81996-46-5 (source: PubChem)
GtoPdb PubChem SID 310264677
PubChem CID 10453764
Search Google for chemical match using the InChIKey NIDVDYQCGWISJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NIDVDYQCGWISJZ
Search UniChem for chemical match using the InChIKey NIDVDYQCGWISJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NIDVDYQCGWISJZ