Details of the Drug

General Information of Drug (ID: DMS5LPF)

Drug Name

Viquidacin

Synonyms

AVE-4221; AVE-6971; NXL-101; Topoisomerase IV inhibitor antibacterials, Novexel

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

504.6

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C25H29FN2O4S2
IUPAC Name: (3R,4R)-4-[(3S)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid
Canonical SMILES: COC1=CC2=C(C(=CN=C2C=C1)F)[C@H](CC[C@@H]3CCN(C[C@@H]3C(=O)O)CCSC4=CC=CS4)O
InChI: InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1
InChIKey: USGHRRVFKSLEJT-WVBUVRCRSA-N

Cross-matching ID

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]

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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 800017450)
2	Selenophene-containing inhibitors of type IIA bacterial topoisomerases.J Med Chem.2011 May 12;54(9):3418-25.