GEPOTIDACIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DVF0PR037D

Structure
InChI Key PZFAZQUREQIODZ-LJQANCHMSA-N
Smile O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1
InChI
InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N6O3
Molecular Weight 448.53
AlogP 1.09
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 94.28
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 1.8-374 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1400-1400000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gonorrhea 3 D006069 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Respiratory Tract Infections 1 D012141 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1075236-89-3
ChEMBL CHEMBL3317856
DrugBank DB12134
FDA SRS DVF0PR037D
Guide to Pharmacology 10817
PDB JHN
PubChem 25101874
SureChEMBL SCHEMBL3332319
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