talnetant

Ligand id: 2132

Name: talnetant

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 62.22
Molecular weight 382.17
XLogP 6.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Bennacef I, Tymciu S, Dhilly M, Lasne MC, Debruyne D, Perrio C, BarrĂ© L. (2004)
Synthesis and biological evaluation of novel fluoro and iodo quinoline carboxamides as potential ligands of NK-3 receptors for in vivo imaging studies.
Bioorg Med Chem, 12: 4533-4541. [PMID:15265501]
2. Dawson LA, Cato KJ, Scott C, Watson JM, Wood MD, Foxton R, de la Flor R, Jones GA, Kew JN, Cluderay JE et al.. (2008)
In vitro and in vivo characterization of the non-peptide NK3 receptor antagonist SB-223412 (talnetant): potential therapeutic utility in the treatment of schizophrenia.
Neuropsychopharmacology, 33 (7): 1642-52. [PMID:17728699]
3. de la Flor R, Dawson LA. (2009)
Augmentation of antipsychotic-induced neurochemical changes by the NK3 receptor antagonist talnetant (SB-223412).
Neuropharmacology, 56 (2): 342-9. [PMID:18822303]
4. Giardina GA, Raveglia LF, Grugni M, Sarau HM, Farina C, Medhurst AD, Graziani D, Schmidt DB, Rigolio R, Luttmann M et al.. (1999)
Discovery of a novel class of selective non-peptide antagonists for the human neurokinin-3 receptor. 2. Identification of (S)-N-(1-phenylpropyl)-3-hydroxy-2-phenylquinoline-4-carboxamide (SB 223412).
J. Med. Chem., 42 (6): 1053-65. [PMID:10090788]
5. Giardina GA, Sarau HM, Farina C, Medhurst AD, Grugni M, Foley JJ, Raveglia LF, Schmidt DB, Rigolio R, Vassallo M et al.. (1996)
2-Phenyl-4-quinolinecarboxamides: a novel class of potent and selective non-peptide competitive antagonists for the human neurokinin-3 receptor.
J. Med. Chem., 39 (12): 2281-4. [PMID:8691422]
6. Liem-Moolenaar M, Gray FA, de Visser SJ, Franson KL, Schoemaker RC, Schmitt JA, Cohen AF, van Gerven JM. (2010)
Psychomotor and cognitive effects of a single oral dose of talnetant (SB223412) in healthy volunteers compared with placebo or haloperidol.
J. Psychopharmacol. (Oxford), 24 (1): 73-82. [PMID:18755817]
7. Sarau HM, Feild JA, Ames RS, Foley JJ, Nuthulaganti P, Schmidt DB, Buckley PT, Elshourbagy NA, Brawner ME, Luttmann MA et al.. (2001)
Molecular and pharmacological characterization of the murine tachykinin NK(3) receptor.
Eur. J. Pharmacol., 413 (2-3): 143-50. [PMID:11226387]
8. Sarau HM, Griswold DE, Potts W, Foley JJ, Schmidt DB, Webb EF, Martin LD, Brawner ME, Elshourbagy NA, Medhurst AD et al.. (1997)
Nonpeptide tachykinin receptor antagonists: I. Pharmacological and pharmacokinetic characterization of SB 223412, a novel, potent and selective neurokinin-3 receptor antagonist.
J. Pharmacol. Exp. Ther., 281 (3): 1303-11. [PMID:9190866]