Ligand id: 5166

Name: cilastatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 155.02
Molecular weight 358.16
XLogP -0.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Graham DW, Ashton WT, Barash L, Brown JE, Brown RD, Canning LF, Chen A, Springer JP, Rogers EF. (1987)
Inhibition of the mammalian beta-lactamase renal dipeptidase (dehydropeptidase-I) by (Z)-2-(acylamino)-3-substituted-propenoic acids.
J. Med. Chem., 30 (6): 1074-90. [PMID:3495664]
2. Keynan S, Hooper NM, Felici A, Amicosante G, Turner AJ. (1995)
The renal membrane dipeptidase (dehydropeptidase I) inhibitor, cilastatin, inhibits the bacterial metallo-beta-lactamase enzyme CphA.
Antimicrob. Agents Chemother., 39 (7): 1629-31. [PMID:7492120]