CILASTATIN SODIUM

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5428WXZ74M

Structure
InChI Key QXPBTTUOVWMPJN-QBNHLFMHSA-M
Smile CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]
InChI
InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25N2NaO5S
Molecular Weight 380.44
AlogP 1.43
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 129.72
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Renal dipeptidase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 21.69

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 59511
ChEMBL CHEMBL1201057
EPA CompTox DTXSID2046915
FDA SRS 5428WXZ74M
PubChem 45480603
SureChEMBL SCHEMBL41200
CONTENTS