lysergol   Click here for help

GtoPdb Ligand ID: 123

Synonyms: lysergole
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 39.26
Molecular weight 254.14
XLogP 1.64
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3
Isomeric SMILES OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3
InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
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 Full agonist 9.2 pKi - 2
pKi 9.2 [2]
5-HT1B receptor Hs Agonist Full agonist 7.5 – 8.9 pKi - 1-2
pKi 7.5 – 8.9 [1-2]
5-ht1e receptor Hs Agonist Full agonist 7.4 pKi - 1
pKi 7.4 [1]