cilastatin

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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name
(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid
International Nonproprietary Names
INN number INN
5457 cilastatin
Synonyms
MK 0791 | Primaxin®
Database Links
CAS Registry No. 82009-34-5
ChEBI CHEBI:3697
ChEMBL Ligand CHEMBL766
DrugBank Ligand DB01597
GtoPdb PubChem SID 178101856
PubChem CID 6435415
Search Google for chemical match using the InChIKey DHSUYTOATWAVLW-WFVMDLQDSA-N
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Search UniChem for chemical match using the InChIKey DHSUYTOATWAVLW-WFVMDLQDSA-N
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Wikipedia Cilastatin
Comments
Cilastatin (sodium) is an adjunct to treatment with the antibiotic imipenem (PubChem CID 104838). Functions as a dipeptidase inhibitor.