Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DI03
UNII: F52Y83BGH3

Structure

InChI Key HGGAKXAHAYOLDJ-FHZUQPTBSA-N
Smile C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12
InChI
InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO5S
Molecular Weight 285.32
AlogP 0.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 87.07
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia 3 D011014 ClinicalTrials
Tuberculosis, Pulmonary 2 D014397 ClinicalTrials
Tuberculosis 1 D014376 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 106560-14-9
ChEBI 51257
ChEMBL CHEMBL556262
DrugBank DB12190
DrugCentral 1131
EPA CompTox DTXSID0046430
FDA SRS F52Y83BGH3
Human Metabolome Database HMDB0041892
Guide to Pharmacology 10808
PDB FPM
PubChem 65894
SureChEMBL SCHEMBL239381
ZINC ZINC000003959242