niclosamide

Ligand id: 8494

Name: niclosamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 92.47
Molecular weight 325.99
XLogP 3.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Biton B, Sethuramanujam S, Picchione KE, Bhattacharjee A, Khessibi N, Chesney F, Lanneau C, Curet O, Avenet P. (2012)
The antipsychotic drug loxapine is an opener of the sodium-activated potassium channel slack (Slo2.2).
J. Pharmacol. Exp. Ther.340 (3): 706-15. [PMID:22171093]
2. Sliwoski G, Schubert M, Stichel J, Weaver D, Beck-Sickinger AG, Meiler J. (2016)
Discovery of Small-Molecule Modulators of the Human Y4 Receptor.
PLoS ONE11 (6): e0157146. [PMID:27294784]
3. Xu M, Lee EM, Wen Z, Cheng Y, Huang WK, Qian X, Tcw J, Kouznetsova J, Ogden SC, Hammack C et al.. (2016)
Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen.
Nat. Med.22 (10): 1101-1107. [PMID:27571349]