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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12ClF3N4O4
Molecular Weight 440.76
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELAFLOXACIN

SMILES

NC1=C(F)C=C(F)C(=N1)N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23

InChI

InChIKey=DYDCPNMLZGFQTM-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C18H12ClF3N4O4
Molecular Weight 440.76
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:51 UTC 2023
Edited
by admin
on Sat Dec 16 17:34:51 UTC 2023
Record UNII
6315412YVF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELAFLOXACIN
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
DELAFLOXACIN [MI]
Common Name English
delafloxacin [INN]
Common Name English
RX-3341
Code English
ABT-492
Code English
WQ-3034
Code English
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-
Common Name English
Delafloxacin [WHO-DD]
Common Name English
DELAFLOXACIN [USAN]
Common Name English
BAXDELA
Brand Name English
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
Systematic Name English
Classification Tree Code System Code
NDF-RT N0000193223
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
WHO-ATC J01MA23
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
NCI_THESAURUS C795
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
Code System Code Type Description
DAILYMED
6315412YVF
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
INN
9064
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
PUBCHEM
487101
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105637
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
SMS_ID
100000176638
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
MERCK INDEX
m12032
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
RXCUI
1927663
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
DRUG BANK
DB11943
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
CAS
189279-58-1
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
LACTMED
Delafloxacin
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
DRUG CENTRAL
5238
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
FDA UNII
6315412YVF
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
NCI_THESAURUS
C87390
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
USAN
TT-116
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID40172331
Created by admin on Sat Dec 16 17:34:54 UTC 2023 , Edited by admin on Sat Dec 16 17:34:54 UTC 2023
PRIMARY
Related Record Type Details
NEISSERIA MENINGITIDIS
TARGET ORGANISM->INHIBITOR
Structure of DELAFLOXACIN
EXCRETED UNCHANGED
Following a single oral dose of 14C-labeled delafloxacin, 50% of the radioactivity is excreted in urine as unchanged delafloxacin and glucuronide metabolites and 48% is excreted in feces as unchanged delafloxacin.
FECAL; URINE
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
STAPHYLOCOCCUS HAEMOLYTICUS
TARGET ORGANISM->INHIBITOR
METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
ENTEROCOCCUS FAECALIS
TARGET ORGANISM->INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INDUCER
Delafloxacin was a mild inducer (less than 2 fold) of CYP3A4 at a clinically relevant concentration.
STREPTOCOCCUS ANGINOSUS
TARGET ORGANISM->INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B15
METABOLIC ENZYME -> SUBSTRATE
CLOSTRIDIUM PERFRINGENS
TARGET ORGANISM->INHIBITOR
Structure of DELAFLOXACIN
EXCRETED UNCHANGED
After single intravenous dose of 14C-labeled delafloxacin, 65% of the radioactivity is excreted in urine as unchanged delafloxacin and glucuronide metabolites and 28% is excreted in feces as unchanged delafloxacin.
FECAL; URINE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
STREPTOCOCCUS PYOGENES
TARGET ORGANISM->INHIBITOR
CLOSTRIDIUM DIFFICILE
TARGET ORGANISM->INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3
METABOLIC ENZYME -> SUBSTRATE
Structure of DELAFLOXACIN MEGLUMINE
SALT/SOLVATE -> PARENT
STREPTOCOCCUS AGALACTIAE
TARGET ORGANISM->INHIBITOR
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INDUCER
Delafloxacin was a mild inducer (less than 2 fold) of CYP2C9 at a concentration of 100 μM
MORAXELLA CATARRHALIS
TARGET ORGANISM->INHIBITOR
STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
NEISSERIA GONORRHOEAE
TARGET ORGANISM->INHIBITOR
HAEMOPHILUS INFLUENZAE
TARGET ORGANISM->INHIBITOR
PSEUDOMONAS AERUGINOSA
TARGET ORGANISM->INHIBITOR
Related Record Type Details
Structure of DELAFLOXACIN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC MULTIPLE ORAL ADMINISTRATION

Tmax PHARMACOKINETIC FASTED CONDITION

ORAL ADMINISTRATION

NOAEL TOXICITY ORGAN SYSTEM OR TYPE OF EFFECT
TOXICITY
SPECIES
TOXICITY
ROUTE OF ADMINISTRATION
TOXICITY
COMMENTS

Volume of Distribution PHARMACOKINETIC INTRAVENOUS ADMINISTRATION

SINGLE DOSE

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