General Information of Drug (ID: DMWFI4A)

Drug Name
CP-67015
Synonyms
100325-51-7; CCRIS 2955; CP-67015; CP 67015; CP-67,015; 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-4-oxo-7-(4-pyridinyl)-; 3-Quinolinecarboxylicacid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(4-pyridinyl)-; ACMC-20m3dd; AC1L2S7K; SCHEMBL9304919; CTK0H9319; DTXSID00143163; AKOS030543955; LS-141575; 1-ethyl-6,8-difluoro-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(4-pyridinyl)-; 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dih
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.28
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H12F2N2O3
IUPAC Name
1-ethyl-6,8-difluoro-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
Canonical SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC=NC=C3)F)C(=O)O
InChI
InChI=1S/C17H12F2N2O3/c1-2-21-8-11(17(23)24)16(22)10-7-12(18)13(14(19)15(10)21)9-3-5-20-6-4-9/h3-8H,2H2,1H3,(H,23,24)
InChIKey
AVTJRMCCKOBMQP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
127557
CAS Number
100325-51-7
TTD ID
D03YLN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DNA gyrase (Bact gyrase) TTN6J5F GYRA_STAAU ; GYRB_STAAU Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003590)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.