SB 224289
| SMILES | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C |
| InChIKey | ATQMRMGXINTJHV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 520.2 |
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-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.4 | 8.6 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.44 | 6.58 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.19 | 8.56 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.13 | 6.2 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.78 | 5.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FPR3 | FPR3 | Human | Formylpeptide | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
| GPR183 | GP183 | Human | Orphan | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| GPR35 | GPR35 | Human | Orphan | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| FPR1 | FPR1 | Human | Formylpeptide | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.82 | 4.85 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| apelin | APJ | Human | Apelin | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |