General Information of Drug (ID: DMC4W03)

Drug Name
Premafloxacin
Synonyms
Premafloxacin; 143383-65-7; UNII-UOM2HMO524; UOM2HMO524; CHEMBL230599; U-95376; 1-cyclopropyl-6-fluoro-8-methoxy-7-((R)-3-((S)-1-(methylamino)ethyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Premafloxacin [USAN:INN]; Premafloxacin (USAN/INN); SCHEMBL1230382; AC1L2G72; CTK4C3611; DTXSID70162407; 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]-1-pyrrolidinyl]-4-oxo-; BDBM50205462; AKOS030530871; D05605; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 403.4
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H26FN3O4
IUPAC Name
1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Canonical SMILES
C[C@@H]([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NC
InChI
InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1
InChIKey
SUQUWONDIBHQOZ-NWDGAFQWSA-N
Cross-matching ID
PubChem CID
71455
CAS Number
143383-65-7
TTD ID
D0PC5N
VARIDT ID
DR00744

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Topoisomerase IV (Stap-coc parC) TTIXTO3 PARC_STAAS Inhibitor [1]
Streptococcus Topoisomerase IV A (Stre-coc parC) TT1WJCI PARC_STRPN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Alteration of Escherichia coli topoisomerase IV to novobiocin resistance. Antimicrob Agents Chemother. 2003 Mar;47(3):941-7.