compound 13e [PMID: 16759857]

Ligand id: 8786

Name: compound 13e [PMID: 16759857]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 152.62
Molecular weight 483.16
XLogP 7.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[2,2-bis(3-methyl-1,2,4-oxadiazol-5-yl)-5-phenylpentyl]phenyl]sulfamic acid
Database Links
ChEMBL Ligand CHEMBL1185062
PubChem CID 16043227
Search Google for chemical match using the InChIKey MKLXYDUSWQDVEW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MKLXYDUSWQDVEW
Search UniChem for chemical match using the InChIKey MKLXYDUSWQDVEW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MKLXYDUSWQDVEW
Comments
The development of compound 13e is reported in [1]. This compound inhibits the endothelially expressed receptor tyrosine phosphatase HPTPβ (PTPRB).