DOM


SMILES COc1cc(C)c(cc1CC(N)C)OC
InChIKey NTJQREUGJKIARY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 209.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKd 7.12 7.12 7.12 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.71 6.71 6.71 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.29 5.29 5.29 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.69 5.71 5.74 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.51 7.65 8.69 PDSP Ki database
5-HT2B F6QI78 Bovine 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.43 6.9 7.38 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.85 4.99 5.14 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.59 7.59 7.59 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.71 6.87 7.03 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database