Details of the Drug

General Information of Drug (ID: DMW8VEH)

Drug Name
BMY-43748
Synonyms 7-[3(S)-Aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylicacid
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 418.4
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C20H17F3N4O3
IUPAC Name
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Canonical SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=C(C=C(C=C4)F)F)C(=O)O
InChI
InChI=1S/C20H17F3N4O3/c1-9-15-17(28)12(20(29)30)8-27(14-3-2-10(21)6-13(14)22)18(15)25-19(16(9)23)26-5-4-11(24)7-26/h2-3,6,8,11H,4-5,7,24H2,1H3,(H,29,30)/t11-/m0/s1
InChIKey
SKYPQEVVXGJKIJ-NSHDSACASA-N
Cross-matching ID
PubChem CID
488361
TTD ID
D0GV0Q

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 Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Comparative metabolism of tosufloxacin and BMY 43748 in hepatocytes from rat, dog, monkey and man. Toxicol In Vitro. 1993 Jul;7(4):499-503.