GR 127935

Ligand id: 14

Name: GR 127935

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.73
Molecular weight 497.24
XLogP 5.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gaster LM, Blaney FE, Davies S, Duckworth DM, Ham P, Jenkins S, Jennings AJ, Joiner GF, King FD, Mulholland KR et al.. (1998)
The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo.
J. Med. Chem., 41 (8): 1218-35. [PMID:9548813]
2. Grånäs C, Larhammar D. (1999)
Identification of an amino acid residue important for binding of methiothepin and sumatriptan to the human 5-HT(1B) receptor.
Eur. J. Pharmacol., 380 (2-3): 171-81. [PMID:10513577]
3. Jorand-Lebrun C, Pauwels PJ, Palmier C, Moret C, Chopin P, Perez M, Marien M, Halazy S. (1997)
5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine.
J. Med. Chem., 40 (24): 3974-8. [PMID:9397179]
4. Leysen JE, Gommeren W, Heylen L, Luyten WH, Van de Weyer I, Vanhoenacker P, Haegeman G, Schotte A, Van Gompel P, Wouters R et al.. (1996)
Alniditan, a new 5-hydroxytryptamine1D agonist and migraine-abortive agent: ligand-binding properties of human 5-hydroxytryptamine1D alpha, human 5-hydroxytryptamine1D beta, and calf 5-hydroxytryptamine1D receptors investigated with [3H]5-hydroxytryptamine and [3H]alniditan.
Mol. Pharmacol., 50 (6): 1567-80. [PMID:8967979]
5. Price GW, Burton MJ, Collin LJ, Duckworth M, Gaster L, Göthert M, Jones BJ, Roberts C, Watson JM, Middlemiss DN. (1997)
SB-216641 and BRL-15572--compounds to pharmacologically discriminate h5-HT1B and h5-HT1D receptors.
Naunyn Schmiedebergs Arch. Pharmacol., 356 (3): 312-20. [PMID:9303567]
6. Selkirk JV, Scott C, Ho M, Burton MJ, Watson J, Gaster LM, Collin L, Jones BJ, Middlemiss DN, Price GW. (1998)
SB-224289--a novel selective (human) 5-HT1B receptor antagonist with negative intrinsic activity.
Br. J. Pharmacol., 125 (1): 202-8. [PMID:9776361]
7. Wainscott DB, Krushinski Jr JH, Audia JE, Schaus JM, Zgombick JM, Lucaites VL, Nelson DL. (2005)
[3H]LY334370, a novel radioligand for the 5-HT1F receptor. I. In vitro characterization of binding properties.
Naunyn Schmiedebergs Arch. Pharmacol., 371 (3): 169-77. [PMID:15900510]
8. Watson JM, Burton MJ, Price GW, Jones BJ, Middlemiss DN. (1996)
GR127935 acts as a partial agonist at recombinant human 5-HT1D alpha and 5-HT1D beta receptors.
Eur. J. Pharmacol., 314 (3): 365-72. [PMID:8957260]