WAY-100635   Click here for help

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.
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 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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
Synonyms Click here for help
WAY 100635 | WAY-100,635 | WAY100635
Database Links Click here for help
BindingDB Ligand 50035522
CAS Registry No. 162760-96-5 (source: Scifinder)
ChEMBL Ligand CHEMBL31354
GtoPdb PubChem SID 135651321
PubChem CID 5684
Search Google for chemical match using the InChIKey SBPRIAGPYFYCRT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SBPRIAGPYFYCRT
Search UniChem for chemical match using the InChIKey SBPRIAGPYFYCRT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SBPRIAGPYFYCRT
Wikipedia WAY-100,635