Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DD13
UNII: 7R4F94TVGY

Structure

InChI Key WYUSVOMTXWRGEK-HBWVYFAYSA-N
Smile COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1
InChI
InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17N5O6S2
Molecular Weight 427.46
AlogP -0.54
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 156.44
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 80210-62-4
ChEBI 3504
ChEMBL CHEMBL1672
DrugBank DB01416
EPA CompTox DTXSID6022765
FDA SRS 7R4F94TVGY
Human Metabolome Database HMDB0015486
Guide to Pharmacology 10780
KEGG C08114
PharmGKB PA164746385
PubChem 6335986
SureChEMBL SCHEMBL27072
ZINC ZINC000003830453