WAY-100635   

GtoPdb Ligand ID: 80

Synonyms: WAY 100635 | WAY-100,635 | WAY100635
Compound class: Synthetic organic
Comment: WAY-100635 is a piperazine drug widely used in scientific studies. As described in our bioactivity tab It was reported as a selective 5-HT1A receptor antagonist in 1998 but subsequent research showed that it also acts as potent full agonist at D4.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 48.91
Molecular weight 422.27
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
InChI Key SBPRIAGPYFYCRT-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1A receptor Hs Antagonist Antagonist 7.9 – 9.2 pKi - 2-3
pKi 7.9 – 9.2 (Ki 1.26x10-8 – 6.31x10-10 M) [2-3]
D4 receptor Hs Agonist Full agonist 7.8 pKi - 1
pKi 7.8 (Ki 1.6x10-8 M) [1]