CHEMBL106158
SMILES | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 |
InChIKey | CCOQWVUQXNRKKP-WCBMZHEXSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 248.1 |
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 | 6.65 | 6.68 | 6.7 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.15 | 5.18 | 5.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 6.65 | 6.68 | 6.7 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pEC50 | 4.99 | 5.0 | 5.0 | ChEMBL |