8-OH-DPAT
SMILES | CCCN(C1CCc2c(C1)c(O)ccc2)CCC |
InChIKey | ASXGJMSKWNBENU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 247.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKd | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 7.1 | 7.3 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKd | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.65 | 5.7 | Guide to Pharmacology |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.95 | 7.6 | Guide to Pharmacology |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.4 | 7.5 | Guide to Pharmacology |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.48 | 6.56 | 6.61 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.73 | 6.0 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 4.2 | 4.89 | 5.59 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.22 | 6.25 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.79 | 6.87 | 6.94 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.37 | 6.41 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.46 | 6.18 | 7.07 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.01 | 8.78 | 9.57 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKd | 8.6 | 8.6 | 8.6 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 4.83 | 4.98 | 5.14 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 8.7 | 9.77 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.49 | 6.68 | 7.08 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 6.48 | 7.33 | PDSP Ki database |
5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.29 | 7.0 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.05 | 5.94 | 6.7 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.26 | 6.15 | PDSP Ki database |
5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.27 | 5.27 | 5.27 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.06 | 5.41 | 8.4 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.0 | 5.62 | 5.97 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.48 | 8.66 | 10.22 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 6.44 | 7.42 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.7 | 7.17 | 7.46 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.05 | 5.22 | PDSP Ki database |
5-HT5A | 5HT5A | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.7 | 6.05 | PDSP Ki database |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.83 | 6.83 | 6.83 | PDSP Ki database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.87 | 7.19 | 7.39 | PDSP Ki database |
5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.87 | 5.9 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.55 | 7.28 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.48 | 5.78 | 6.08 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.66 | 6.27 | 6.7 | PDSP Ki database |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.57 | 8.83 | 9.32 | PDSP Ki database |
5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.5 | 6.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.19 | 5.57 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.3 | 5.6 | PDSP Ki database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.9 | 9.4 | Guide to Pharmacology |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 6.0 | 7.7 | 9.4 | Guide to Pharmacology |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.75 | 6.29 | 6.82 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.22 | 5.39 | 5.72 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.73 | 6.73 | 6.73 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.93 | 6.93 | 6.93 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 4.84 | 5.71 | 6.59 | ChEMBL |
5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.06 | 4.06 | 4.06 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
5-HT1A | F6Q2H9 | Bovine | 5-Hydroxytryptamine | A | pKi | 8.9 | 8.9 | 8.9 | PDSP Ki database |
5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 8.74 | 8.77 | 8.84 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.24 | 6.76 | 8.28 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.85 | 8.52 | 8.96 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.29 | 7.88 | 8.59 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.22 | 9.16 | 9.55 | ChEMBL |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 4.31 | 4.31 | 4.31 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
α2A | ADA2A | Bovine | Adrenoceptors | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 4.52 | 4.52 | 4.52 | ChEMBL |