CHEMBL4876743
SMILES | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 |
InChIKey | HINPSJCWPJZPIN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 338.2 |
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 |
H2 | HRH2 | Human | Histamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.61 | 4.61 | 4.61 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 4.5 | 4.5 | 4.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pEC50 | 6.41 | 6.62 | 6.83 | ChEMBL |