Ligand id: 7555

Name: modafinil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.37
Molecular weight 273.08
XLogP 3.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dance A. (2016)
Smart drugs: A dose of intelligence.
Nature, 531 (7592): S2-3. [PMID:26934523]
2. Erman MK, Rosenberg R, Modafinil Shift Work Sleep Disorder Study Group. (2007)
Modafinil for excessive sleepiness associated with chronic shift work sleep disorder: effects on patient functioning and health-related quality of life.
Prim Care Companion J Clin Psychiatry, 9 (3): 188-94. [PMID:17632651]
3. Gerrard P, Malcolm R. (2007)
Mechanisms of modafinil: A review of current research.
Neuropsychiatr Dis Treat, 3 (3): 349-64. [PMID:19300566]
4. Hawkes N. (2015)
Modafinil does enhance cognition, review finds.
BMJ, 351: h4573. [PMID:26296947]
5. Minzenberg MJ, Carter CS. (2008)
Modafinil: a review of neurochemical actions and effects on cognition.
Neuropsychopharmacology, 33 (7): 1477-502. [PMID:17712350]
6. Zhou J, He R, Johnson KM, Ye Y, Kozikowski AP. (2004)
Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug discovery by rational lead hybridization.
J. Med. Chem., 47 (24): 5821-4. [PMID:15537337]
7. Zolkowska D, Jain R, Rothman RB, Partilla JS, Roth BL, Setola V, Prisinzano TE, Baumann MH. (2009)
Evidence for the involvement of dopamine transporters in behavioral stimulant effects of modafinil.
J. Pharmacol. Exp. Ther., 329 (2): 738-46. [PMID:19197004]