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 |
Endogenous/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-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | 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 |