CHEMBL4878215
| SMILES | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 |
| InChIKey | KOIIIBWVKNCMBP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 344.1 |
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 |
| H4 | HRH4 | Human | Histamine | A | pKi | 4.52 | 4.52 | 4.52 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pEC50 | 5.36 | 6.02 | 6.67 | ChEMBL |