spiroxatrine   Click here for help

GtoPdb Ligand ID: 53

Synonyms: spiroxamide
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.04
Molecular weight 379.19
XLogP 2.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1
Isomeric SMILES O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1
InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
InChI Key JVGBTTIJPBFLTE-UHFFFAOYSA-N
References
1. Newman-Tancredi A, Gavaudan S, Conte C, Chaput C, Touzard M, Verrièle L, Audinot V, Millan MJ. (1998)
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
Eur J Pharmacol, 355 (2-3): 245-56. [PMID:9760039]
2. Uhlén S, Porter AC, Neubig RR. (1994)
The novel alpha-2 adrenergic radioligand [3H]-MK912 is alpha-2C selective among human alpha-2A, alpha-2B and alpha-2C adrenoceptors.
J Pharmacol Exp Ther, 271 (3): 1558-65. [PMID:7996470]
3. Wainscott DB, Sasso DA, Kursar JD, Baez M, Lucaites VL, Nelson DL. (1998)
[3H]Rauwolscine: an antagonist radioligand for the cloned human 5-hydroxytryptamine2b (5-HT2B) receptor.
Naunyn Schmiedebergs Arch Pharmacol, 357 (1): 17-24. [PMID:9459568]
4. Yoshio R, Taniguchi T, Itoh H, Muramatsu I. (2001)
Affinity of serotonin receptor antagonists and agonists to recombinant and native alpha1-adrenoceptor subtypes.
Jpn J Pharmacol, 86 (2): 189-95. [PMID:11459121]