Details of the Drug

General Information of Drug (ID: DMK6WIO)

Drug Name
Enrofloxacin
Synonyms
Enrofloxacin; 93106-60-6; Baytril; Enrofloxacine; CFPQ; Enrofloxacinum; Enrofloxacino; endrofloxicin; BAY VP 2674; Bay-Vp-2674; Enrofloxacine [French]; Enrofloxacinum [Latin]; Enrofloxacino [Spanish]; UNII-3DX3XEK1BN; N-Ethylciprofloxacin; Baytril (TN); ERFX; Enrofloxacin [USAN:BAN:INN]; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; HSDB 6952; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 3DX3XEK1BN; Enrofloxacin (USAN/INN)
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 359.4
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H22FN3O3
IUPAC Name
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Canonical SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
InChIKey
SPFYMRJSYKOXGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71188
ChEBI ID
CHEBI:35720
CAS Number
93106-60-6
UNII
3DX3XEK1BN
DrugBank ID
DB11404
VARIDT ID
DR01565

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Protein Interaction/Cellular Processes [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Interaction of enrofloxacin with breast cancer resistance protein (BCRP/ABCG2): influence of flavonoids and role in milk secretion in sheep. J Vet Pharmacol Ther. 2006 Aug;29(4):279-87.
2 Computational and experimental studies on the inhibitory mechanism of hydroxychloroquine on hERG. Toxicology. 2021 Jun 30;458:152822. doi: 10.1016/j.tox.2021.152822. Epub 2021 May 28.