BRL-15572   

GtoPdb Ligand ID: 10

Synonyms: BRL 15572 | BRL-15,572 | BRL15572
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 26.71
Molecular weight 406.18
XLogP 5.3
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O
Isomeric SMILES Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O
InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
InChI Key QJHCTHPYUOXOGM-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Hs Agonist Partial agonist 7.9 pKi - 1
pKi 7.9 [1]
5-HT1A receptor Hs Agonist Partial agonist 7.7 pKi - 1
pKi 7.7 [1]
5-HT2B receptor Hs Agonist Partial agonist 7.4 pKi - 1
pKi 7.4 [1]
5-HT2A receptor Hs Agonist Full agonist 6.6 pKi - 1
pKi 6.6 [1]
5-HT2C receptor Hs Agonist Partial agonist 6.2 pKi - 1
pKi 6.2 [1]
5-HT1B receptor Hs Agonist Partial agonist 6.1 pKi - 1
pKi 6.1 [1]
5-HT1F receptor Hs Agonist Partial agonist 6.0 pKi - 1
pKi 6.0 [1]
5-HT6 receptor Hs Agonist Partial agonist 5.9 pKi - 1
pKi 5.9 [1]
5-ht1e receptor Hs Agonist Partial agonist 5.2 pKi - 1
pKi 5.2 [1]