Structure

InChI Key HFTSMHTWUFCYMJ-FDNJTQOMSA-N
Smile Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)O)N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1
InChI
InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15+/t13-,16-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26N8O11S2
Molecular Weight 690.67
AlogP -0.54
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 264.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 47.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Staphylococcal Skin Infections 3 D013207 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Staphylococcal Infections 3 D013203 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Bacteremia 2 D016470 ClinicalTrials
Meningitis 2 D008581 ClinicalTrials
Bacterial Infections 1 D001424 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 376653-43-9
ChEMBL CHEMBL1652606
FDA SRS N99027V28J
PubChem 135413543
ZINC ZINC000072123798
CAS NUMBER 376653-43-9
ChEMBL CHEMBL4297101
FDA SRS N99027V28J
PubChem 135413543
SureChEMBL SCHEMBL3069914