Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01AA13
UNII: 07896928ZC

Structure

InChI Key HLFSMUUOKPBTSM-ISIOAQNYSA-N
Smile CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12
InChI
InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31FN4O8
Molecular Weight 558.56
AlogP 0.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 193.73
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 620 - - -
Unclassified protein
- 620 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1207283-85-9
ChEMBL CHEMBL1951095
DrugBank DB12329
DrugCentral 5294
FDA SRS 07896928ZC
Guide to Pharmacology 10805
SureChEMBL SCHEMBL10040430