Ligand Data
Ligand
| Name | CHEMBL1080683 |
| SMILES | CC1=C(C=C(N1C)C2=CC=CC=C2)C(=O)NCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| InChIKey | SUYPLBXTJNBFTI-UHFFFAOYSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 471.4 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| 5-HT2A | 5ht2a_human | Human | 5-Hydroxytryptamine receptors | Class A (Rhodopsin) | 175.0 | 175.0 | 175.0 | |||
| 5-HT2C | 5ht2c_human | Human | 5-Hydroxytryptamine receptors | Class A (Rhodopsin) | 156.0 | 156.0 | 156.0 | |||