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 |