BRL-54443


SMILES CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
InChIKey WKNFADCGOAHBPG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 230.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7E33
Ligand site mutations 5-HT1A 5-HT1E

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.78 4.8 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.7 4.7 4.7 ChEMBL