DOI


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

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 321.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT2A 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKd 2.5 2.5 2.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.92 5.92 5.92 PDSP Ki database
CCK2 GASR Rat Cholecystokinin A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.54 5.54 5.54 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 6.39 6.39 6.39 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.25 5.25 5.25 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.44 5.44 5.44 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.33 5.33 5.33 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.17 5.17 5.17 PDSP Ki database
μ OPRM Rat Opioid A pKi 7.21 7.21 7.21 PDSP Ki database
κ OPRK Rat Opioid A pKi 5.41 5.41 5.41 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 4.3 4.3 4.3 Guide to Pharmacology
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.29 5.29 5.29 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL