CHEMBL4594753
SMILES | CC(C)(C)CNc1nccc(NCCCN)n1 |
InChIKey | PLQWTZPLYTZFCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 237.2 |
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 | 7.44 | 7.44 | 7.44 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 5.97 | 6.63 | 7.29 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pEC50 | 6.72 | 7.18 | 7.64 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pEC50 | 7.4 | 7.46 | 7.53 | ChEMBL |