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
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.