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]
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
PubChem CID
11591505
ChEBI ID
CHEMBL2158050
CAS Number
904302-98-3
TTD ID
D0IY0R
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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
Bacterial DNA gyrase (Bact gyrase) TTN6J5F GYRA_STAAU ; GYRB_STAAU 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 800017450)
2 Selenophene-containing inhibitors of type IIA bacterial topoisomerases.J Med Chem.2011 May 12;54(9):3418-25.