Details of the Drug

General Information of Drug (ID: DMM6G5D)

Drug Name
AZD0914
Synonyms Zoliflodacin
Indication
Disease Entry ICD 11 Status REF
Neisseria gonorrhoeae infection 1A7Z Phase 3 [1]
Bacterial infection 1A00-1C4Z Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 487.4
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C22H22FN5O7
IUPAC Name
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Canonical SMILES
C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=CC5=C(C(=C42)F)ON=C5N6[C@H](COC6=O)C)C(=O)NC(=O)NC3=O
InChI
InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
InChIKey
ZSWMIFNWDQEXDT-ZESJGQACSA-N
Cross-matching ID
PubChem CID
76685216
CAS Number
1620458-09-4
DrugBank ID
DB12817
TTD ID
D00HBE
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DNA gyrase (Bact gyrase) TTN6J5F GYRA_STAAU ; GYRB_STAAU Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03959527) Zoliflodacin in Uncomplicated Gonorrhoea. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT02257918) Randomized, Open-label Phase 2 Study of Oral AZD0914 in the Treatment of Gonorrhea. U.S. National Institutes of Health.
3 High in vitro activity of the novel spiropyrimidinetrione AZD0914, a DNA gyrase inhibitor, against multidrug-resistant Neisseria gonorrhoeae isolates suggests a new effective option for oral treatment of gonorrhea.Antimicrob Agents Chemother.2014 Sep;58(9):5585-8.