Details of the Drug

General Information of Drug (ID: DMH6XJG)

Drug Name

WCK-2349

Synonyms

WCK-177 prodrug (MRSA infection), Wockhardt

Indication

Disease Entry	ICD 11	Status	REF
MRSA infection	1D01.0Y	Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

431.5

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C22H26FN3O5
IUPAC Name: (12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Canonical SMILES: C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)OC(=O)[C@H](C)N)F)C(=O)O
InChI: InChI=1S/C22H26FN3O5/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24/h9-13H,3-8,24H2,1-2H3,(H,28,29)/t11-,12-/m0/s1
InChIKey: OUXXDXXQNWKOIF-RYUDHWBXSA-N

Cross-matching ID

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]

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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 800038027)
2	DOI: 10.1038/ja.2013.86