compound 3b [PMID:28943244]


SMILES COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1
InChIKey ARQDTTRYUMUINH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 340.2

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-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 10.65 10.65 10.65 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database