Ligand id: 5775

Name: AZD2624

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 96.54
Molecular weight 459.16
XLogP 8.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. AstraZeneca. 
Accessed on 11/09/2014. Modified on 11/09/2014.,
2. George JT, Kakkar R, Marshall J, Scott ML, Finkelman RD, Ho TW, Veldhuis J, Skorupskaite K, Anderson RA, McIntosh S et al.. (2016)
Neurokinin B Receptor Antagonism in Women With Polycystic Ovary Syndrome: A Randomized, Placebo-Controlled Trial.
J. Clin. Endocrinol. Metab., 101 (11): 4313-4321. [PMID:27459523]
3. Litman RE, Smith MA, Desai DG, Simpson T, Sweitzer D, Kanes SJ. (2014)
The selective neurokinin 3 antagonist AZD2624 does not improve symptoms or cognition in schizophrenia: a proof-of-principle study.
J Clin Psychopharmacol, 34 (2): 199-204. [PMID:24525659]
4. Prague JK, Roberts RE, Comninos AN, Clarke S, Jayasena CN, Nash Z, Doyle C, Papadopoulou DA, Bloom SR, Mohideen P et al.. (2017)
Neurokinin 3 receptor antagonism as a novel treatment for menopausal hot flushes: a phase 2, randomised, double-blind, placebo-controlled trial.
Lancet, 389 (10081): 1809-1820. [PMID:28385352]
5. Simpson T et al.. (2007)
Alkylsulphonamide quinolines.
Patent number: WO2007069977. Assignee: AstraZeneca. Priority date: 12/12/2005. Publication date: 11/12/2006.
6. Xu H, Li J, Webber L, Kakkar R, Chen Y, Al-Huniti N. (2016)
Population Pharmacokinetic and Pharmacodynamic Modeling of AZD4901 and Simulation to Support Dose Selection for the Phase 2a Study.
J Clin Pharmacol, 56 (8): 999-1008. [PMID:26626581]