Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XX514BJ1XW

Structure

InChI Key FLSUCZWOEMTFAQ-PRBGKLEPSA-N
Smile C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@+]([O-])C3)S[C@H]12
InChI
InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO5S3
Molecular Weight 349.46
AlogP 0.41
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 94.91
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials
Pneumonia, Bacterial 2 D018410 ClinicalTrials
Pneumonia 1 D011014 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 120788-07-0
ChEMBL CHEMBL1908305
DrugBank DB15284
EPA CompTox DTXSID20869656
FDA SRS XX514BJ1XW
Guide to Pharmacology 10862
PubChem 9950244
SureChEMBL SCHEMBL2256409
ZINC ZINC000005751655