quinelorane   Click here for help

GtoPdb Ligand ID: 954

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 2
Topological polar surface area 55.04
Molecular weight 246.18
XLogP 1.04
No. Lipinski's rules broken 0
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Canonical SMILES CCCN1CCCC2C1Cc1cnc(nc1C2)N
Isomeric SMILES CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N
InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
1. Millan MJ, Peglion JL, Vian J, Rivet JM, Brocco M, Gobert A, Newman-Tancredi A, Dacquet C, Bervoets K, Girardon S. (1995)
Functional correlates of dopamine D3 receptor activation in the rat in vivo and their modulation by the selective antagonist, (+)-S 14297: 1. Activation of postsynaptic D3 receptors mediates hypothermia, whereas blockade of D2 receptors elicits prolactin secretion and catalepsy.
J Pharmacol Exp Ther, 275: 885-898. [PMID:7473180]
2. Sokoloff P, Andrieux M, Besançon R, Pilon C, Martres MP, Giros B, Schwartz JC. (1992)
Pharmacology of human dopamine D3 receptor expressed in a mammalian cell line: comparison with D2 receptor.
Eur J Pharmacol, 225 (4): 331-7. [PMID:1354163]