Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1895)
Drug Name
Delafloxacin
Synonyms
Baxdela; Delafloxacin; RX-3341; WQ-3034; ABT-492; ABT492; Abt 492; UNII-6315412YVF; 1-(6-AMINO-3,5-DIFLUOROPYRIDIN-2-YL)-8-CHLORO-6-FLUORO-7-(3-HYDROXYAZETIDIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid; 189279-58-1; 3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-; 6315412YVF
Indication Methicillin-resistant staphylococcus infection [ICD11: 1D01] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 440.8 Topological Polar Surface Area 120
Heavy Atom Count 30 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
487101
PubChem SID
646602 ; 10311065 ; 12015118 ; 14905930 ; 38676487 ; 50206944 ; 57405714 ; 96026010 ; 104253207 ; 109746350 ; 124757333 ; 125164137 ; 125682121 ; 127803836 ; 134339651 ; 135305729 ; 135727824 ; 136348793 ; 136367460 ; 137125785 ; 143019188 ; 160692685 ; 162037661 ; 162808403 ; 164041736 ; 186007034 ; 198935565 ; 223393852 ; 225060894 ; 226636512 ; 251962932 ; 251971036 ; 252091238 ; 252165730 ; 252214647 ; 252552924
CAS Number
189279-58-1
TTD Drug ID
D0V9BU
Formula
C18H12ClF3N4O4
Canonical SMILES
C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
InChI
1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
InChIKey
DYDCPNMLZGFQTM-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Delafloxacin glucuronide metabolite DM001970 N. A. Unclear 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002918 Delafloxacin Delafloxacin glucuronide metabolite Unclear Unclear [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009417)
2 Delafloxacin: place in therapy and review of microbiologic, clinical and pharmacologic properties. Infect Dis Ther. 2018 Jun;7(2):197-217.
3 Clinical Pharmacokinetics and Pharmacodynamics of Delafloxacin Eur J Drug Metab Pharmacokinet. 2019 Jun;44(3):305-317. doi: 10.1007/s13318-018-0520-8.

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