CHEMBL194837
| SMILES | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 |
| InChIKey | GKDBTHSYQZTDAJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 447.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MCH2 | MCHR2 | Human | Melanin-concentrating hormone | A | pIC50 | 8.06 | 8.06 | 8.06 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 9.06 | 9.06 | 9.06 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 5.83 | 6.55 | 7.07 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.46 | 8.46 | 8.46 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.35 | 8.35 | 8.35 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.77 | 8.77 | 8.77 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.58 | 5.59 | 5.6 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.21 | 9.21 | 9.21 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |