BRL-54443   Click here for help

GtoPdb Ligand ID: 3927

Synonyms: BRL 54443 | BRL54443
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 39.26
Molecular weight 230.14
XLogP 2.01
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
Isomeric SMILES CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
InChI InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1F receptor Hs Agonist Full agonist 8.9 pKi - 1
pKi 8.9 [1]
5-ht1e receptor Hs Agonist Full agonist 8.7 pKi - 1
pKi 8.7 [1]