CHEMBL303369
SMILES | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 |
InChIKey | GRAGHFIYRPTBJY-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 417.3 |
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 |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 4.5 | 4.5 | 4.5 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.78 | 4.78 | 4.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |