enadoline


SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2
InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 396.2

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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.6 9.0 9.5 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.6 5.6 5.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.9 5.9 5.9 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database