Details of the Drug

General Information of Drug (ID: DMPHXMI)

Drug Name
Besifloxacin
Synonyms Besivance (TN)
Indication
Disease Entry ICD 11 Status REF
Ocular inflammation 9C61.24 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 393.8
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 7 hours [2]
Chemical Identifiers
Formula
C19H21ClFN3O3
IUPAC Name
7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Canonical SMILES
C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1
InChIKey
QFFGVLORLPOAEC-SNVBAGLBSA-N
Cross-matching ID
PubChem CID
10178705
ChEBI ID
CHEBI:135622
CAS Number
141388-76-3
DrugBank ID
DB06771
TTD ID
D00TRV

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 [1]
Staphylococcus Topoisomerase IV (Stap-coc parC) TTIXTO3 PARC_STAAS Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds