Structure

InChI Key SNUDIPVBUUXCDG-QHSBEEBCSA-N
Smile C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12
InChI
InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31N3O6S2
Molecular Weight 497.64
AlogP 1.67
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 108.74
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pyelonephritis 3 D011704 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135799
ChEMBL CHEMBL2107486
DrugCentral 2574
EPA CompTox DTXSID00167228
FDA SRS 95AK1A52I8
Guide to Pharmacology 10864
PubChem 9892071
SureChEMBL SCHEMBL305541
ZINC ZINC000004217736