CHEMBL2376801
SMILES | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 |
InChIKey | QEDDBMMRWNQKSG-SNVBAGLBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 272.2 |
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 | 7.07 | 7.07 | 7.07 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKd | 7.67 | 7.67 | 7.67 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.95 | 4.95 | 4.95 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pIC50 | 6.9 | 6.9 | 6.9 | ChEMBL |