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
GtoPdb PubChem SID 252827538
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].