Structure

InChI Key JQBKWZPHJOEQAO-DVPVEWDBSA-N
Smile Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12
InChI
InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO8S
Molecular Weight 397.41
AlogP 0.89
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 119.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bronchitis, Chronic 3 D029481 ClinicalTrials
Otitis Media 2 D010033 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 141702-36-5
ChEBI 134710
ChEMBL CHEMBL1257070
DrugBank DB05659
DrugCentral 5145
FDA SRS 5OK523O4FU
PubChem 6918218
SureChEMBL SCHEMBL2334640
ZINC ZINC000003806644