Details of the Drug

General Information of Drug (ID: DME5PXL)

Drug Name
DK-507k
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.4
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C20H21F2N3O4
IUPAC Name
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Canonical SMILES
COC1=C2C(=CC(=C1N3C[C@H](C4(C3)CC4)N)F)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O
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
InChIKey
JYRHGXXQSIPDDP-IACUBPJLSA-N
Cross-matching ID
PubChem CID
5271826
CAS Number
364069-14-7
TTD ID
D0QW7D
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 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 800016728)
2 In Vitro and In Vivo Antibacterial Activities of DK-507k, a Novel Fluoroquinolone