Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 26020H3Q1L

Structure

InChI Key XFGOMLIRJYURLQ-GOKYHWASSA-N
Smile C[C@H]1C=C(c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)CN1
InChI
InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21N3O4S2
Molecular Weight 407.52
AlogP 1.76
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 102.76
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 2 D007239 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1256722
DrugBank DB12587
FDA SRS 26020H3Q1L
Guide to Pharmacology 10851
PubChem 10993211
SureChEMBL SCHEMBL2894324
ZINC ZINC000003986713