Details of the Drug

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
• #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
  ChEBI ID: CHEMBL230599
  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]

References

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