CHEMBL1935572
SMILES | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 |
InChIKey | PRWLDKKWXOINJS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 325.1 |
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 | 8.4 | 8.46 | 8.52 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |