CHEMBL4597218
SMILES | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 |
InChIKey | GYJOUMCDNZCUAE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 286.2 |
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 | Mouse | Histamine | A | pKi | 8.91 | 8.91 | 8.91 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 8.29 | 8.51 | 8.93 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.48 | 8.75 | 9.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 7.9 | 8.48 | 9.6 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pEC50 | 7.78 | 9.04 | 10.3 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pEC50 | 8.38 | 9.14 | 9.91 | ChEMBL |