CHEMBL3804906
SMILES | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 |
InChIKey | WYMMYOFAUJTQKL-UWVGGRQHSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 246.2 |
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 | 6.62 | 6.81 | 7.01 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 6.02 | 6.05 | 6.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pEC50 | 6.69 | 6.96 | 7.2 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pEC50 | 6.0 | 6.21 | 6.43 | ChEMBL |