BRL 37344   Click here for help

GtoPdb Ligand ID: 567

Synonyms: BRL-37344 | BRL37344
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 3
Rotatable bonds 9
Topological polar surface area 78.79
Molecular weight 363.12
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1ccc(cc1)OCC(=O)O)NCC(c1cccc(c1)Cl)O
Isomeric SMILES C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O
InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
InChI Key ZGGNJJJYUVRADP-ACJLOTCBSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
β3-adrenoceptor Hs Agonist Full agonist 6.4 – 7.0 pKi - 1-4
pKi 6.4 – 7.0 (Ki 3.98x10-7 – 1x10-7 M) [1-4]
β3-adrenoceptor Mm Agonist Full agonist 6.5 pKi - 4
pKi 6.5 [4]
β3-adrenoceptor Rn Agonist Full agonist 6.5 pKi - 4
pKi 6.5 [4]
Ligand mentioned in the following text fields