Details of the Drug

General Information of Drug (ID: DMQ4PKA)

• Drug Name: Olamufloxacin
• Synonyms: Olamufloxacin; HSR-903; UNII-LJG8KL1435; HSR 903; LJG8KL1435; J-502473; (S)-5-Amino-7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; (S)-(-)-5-Amino-7-(7-amino-5-azaspiro[2,4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid; 5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid; Olamufloxacin [INN]; AC1Q5RCW; AC1L9XAZ; SCHEMBL1851976
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 386.4
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C20H23FN4O3
  IUPAC Name: 5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
  Canonical SMILES: CC1=C2C(=C(C(=C1N3CC(C4(C3)CC4)N)F)N)C(=O)C(=CN2C5CC5)C(=O)O
  InChI: InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1
  InChIKey: LEILBPMISZFZQK-GFCCVEGCSA-N
• Cross-matching ID:
  PubChem CID: 477670
  CAS Number: 167887-97-0
  VARIDT ID: DR01725

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[1]

References

• [1] Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.