RELEBACTAM

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 1OQF7TT3PF

Structure
InChI Key SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Smile O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI
InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N4O6S
Molecular Weight 348.38
AlogP -1.14
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 128.28
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial beta-lactamase TEM inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 4 D014552 FDA
Intraabdominal Infections 4 D059413 FDA
Pyelonephritis 4 D011704 FDA
Bacterial Infections 3 D001424 ClinicalTrials
Pneumonia, Bacterial 3 D018410 ClinicalTrials
Communicable Diseases 1 D003141 ClinicalTrials
Sepsis 1 D018805 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 1174018-99-5
ChEMBL CHEMBL3112741
DrugBank DB12377
DrugCentral 5342
FDA SRS 1OQF7TT3PF
Guide to Pharmacology 10852
PubChem 76900350
SureChEMBL SCHEMBL17709595
ZINC ZINC000043206319
CAS NUMBER 1174018-99-5
ChEMBL CHEMBL3301605
FDA SRS Y1MYA2UHFL
Guide to Pharmacology 10852
PubChem 76900350
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