CHEMBL11592
| SMILES | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 |
| InChIKey | DLLULNTXJPATBC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 442.3 |
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-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 5.3 | 5.61 | 6.0 | ChEMBL |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pIC50 | 5.0 | 6.8 | 7.7 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 4.4 | 4.77 | 5.22 | ChEMBL |
| D1 | DRD1 | Bovine | Dopamine | A | pIC50 | 4.4 | 4.5 | 4.7 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 5.52 | 7.54 | 8.0 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.0 | 5.17 | 5.3 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.7 | 9.31 | 9.7 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.4 | 4.4 | 4.4 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |