Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01MA15
UNII: OKR68Y0E4T

Structure

InChI Key ZRCVYEYHRGVLOC-HYARGMPZSA-N
Smile CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
InChI
InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20FN5O4
Molecular Weight 389.39
AlogP 0.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 123.04
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 5600-5600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Helicobacter Infections 3 D016481 ClinicalTrials
Peritonitis 3 D010538 ClinicalTrials
Hypoglycemia 1 D007003 ClinicalTrials
Rhinoscleroma 0 D012226 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 175463-14-6
ChEBI 101853
ChEMBL CHEMBL430
DrugBank DB01155
DrugCentral 1286
EPA CompTox DTXSID3048495
FDA SRS OKR68Y0E4T
Human Metabolome Database HMDB0015286
PubChem 9571107
SureChEMBL SCHEMBL136633