Details of the Drug

General Information of Drug (ID: DMVOIK1)

Drug Name
Rosoxacin
Synonyms
Acrosoxacin; Eracine; Eradacil; Eradacin; Rosoxacine; Rosoxacino; Rosoxacinum; Roxadyl; Winuron; PD 107522; WIN 35213;Eradacil (TN); Rosoxacin [USAN:INN]; Rosoxacine [INN-French]; Rosoxacino [INN-Spanish]; Rosoxacinum [INN-Latin]; Roxadyl (TN); Win 35,213; Win-35123; Rosoxacin (USAN/INN); 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylic acid; 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid; 1-ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1]
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 294.3
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H14N2O3
IUPAC Name
1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
Canonical SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O
InChI
InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)
InChIKey
XBPZXDSZHPDXQU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
287180
ChEBI ID
CHEBI:131715
CAS Number
40034-42-2
DrugBank ID
DB00817
TTD ID
D07CPU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II (TOP2) TT0IHXV TOP2A_HUMAN ; TOP2B_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug information of Rosoxacin, 2008. eduDrugs.
2 Inhibition of Micrococcus luteus DNA gyrase by norfloxacin and 10 other quinolone carboxylic acids. Antimicrob Agents Chemother. 1986 Apr;29(4):598-601.