compound 1a [PMID: 23597791]

Ligand id: 8881

Name: compound 1a [PMID: 23597791]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 154.11
Molecular weight 455.05
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL1394231
PubChem CID 16019476
Search Google for chemical match using the InChIKey UYFZCWXRMHSLTC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UYFZCWXRMHSLTC
Search UniChem for chemical match using the InChIKey UYFZCWXRMHSLTC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UYFZCWXRMHSLTC
Comments
Compound 1a is reported as a small molecule inhibitor of human urea transport protein, UTB (SLC14A1) and may exemplify compounds with a novel diuretic mechanism of action [1].