DK-507k   Click here for help

GtoPdb Ligand ID: 11037

Compound class: Synthetic organic
Comment: DK-507k is a fluoroquinolone antibiotic. Compared to earlier generation fluoroquinolones it has improved activity against Gram-positive bacteria, including strains resistant to available quinolones [1]. DK-507k was being investigated as a potential treatment for community-acquired infections, but development has been discontinued following an analysis of Phase I trial data.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 97.79
Molecular weight 405.15
XLogP 4.26
No. Lipinski's rules broken 0
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Canonical SMILES COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F
Isomeric SMILES COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F
InChI InChI=1S/C20H21F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+,14+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 563
Other databases
CAS Registry No. 364069-14-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2365143
GtoPdb PubChem SID 405560478
PubChem CID 5271826
Search Google for chemical match using the InChIKey JYRHGXXQSIPDDP-IACUBPJLSA-N
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Search UniChem for chemical match using the InChIKey JYRHGXXQSIPDDP-IACUBPJLSA-N
Search UniChem for chemicals with the same backbone JYRHGXXQSIPDDP