MRS1706


SMILES CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C
InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 503.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.24 7.28 7.35 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.29 7.29 7.29 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.3 7.6 7.9 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.54 7.54 7.54 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.4 7.5 7.6 Guide to Pharmacology
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.58 7.58 7.58 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 7.3 7.3 7.3 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.6 4.6 4.6 ChEMBL