A68930   Click here for help

GtoPdb Ligand ID: 6077

Synonyms: A 68930 | A 70108 | A 70360 | A-68930 | A-70108 | A-70360 | A70108 | A70360
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 75.71
Molecular weight 271.12
XLogP 2.06
No. Lipinski's rules broken 0
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Canonical SMILES NCC1OC(Cc2c1ccc(c2O)O)c1ccccc1
Isomeric SMILES NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1
InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
D1 receptor Hs Agonist Agonist 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.511x10-7 M) [1]
D5 receptor Hs Agonist Agonist 6.6 pEC50 - 1
pEC50 6.6 (EC50 2.514x10-7 M) [1]