Details of the Drug

General Information of Drug (ID: DMJQHTN)

Drug Name

WCK-1152

Synonyms

Antibacterial fluoroquinolones, Wockhardt; WCK-1153; WCK-1457; WCK-783; WCK-919; WCK-993A

Indication

Disease Entry	ICD 11	Status	REF
Respiratory tract inflammation	CA07	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

403.4

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C21H26FN3O4
IUPAC Name: 7-[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: CC1(CN(CC[C@@H]1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C
InChI: InChI=1S/C21H26FN3O4/c1-21(2)10-24(7-6-15(21)23)17-14(22)8-12-16(19(17)29-3)25(11-4-5-11)9-13(18(12)26)20(27)28/h8-9,11,15H,4-7,10,23H2,1-3H3,(H,27,28)/t15-/m0/s1
InChIKey: PMBHAWNZPPNADR-HNNXBMFYSA-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 800019222)
2	DOI: 10.1093/jac/dki361