GR 127935
| SMILES | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C |
| InChIKey | YDBCEBYHYKAFRX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 497.2 |
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-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.15 | 7.2 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.3 | 9.8 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.65 | 9.1 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.8 | 7.2 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.37 | 9.27 | 9.85 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.91 | 8.94 | 9.9 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.13 | 7.16 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.94 | 9.85 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | PDSP Ki database |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.36 | 8.5 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.15 | 7.2 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.91 | 8.82 | 9.92 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.37 | 7.58 | 7.8 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.98 | 6.99 | 7.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.4 | 5.8 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.6 | 6.2 | PDSP Ki database |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.37 | 8.37 | 8.37 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.37 | 7.58 | 7.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.37 | 6.41 | 6.44 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.5 | 4.67 | 4.85 | ChEMBL |