DHE


SMILES CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C
InChIKey LUZRJRNZXALNLM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 583.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.41 7.46 7.5 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 8.91 8.91 8.91 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.38 9.21 10.7 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.65 7.67 7.72 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.11 7.72 8.62 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.56 5.56 5.56 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.3 8.3 8.3 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.8 7.8 7.8 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.82 8.82 8.82 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.53 6.53 6.53 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.89 9.89 9.89 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.74 9.62 11.22 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.88 8.07 8.27 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 10.22 10.22 10.22 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.82 6.82 6.82 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 6.84 6.84 6.84 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.48 7.61 7.82 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 8.82 8.82 8.82 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database