CHEMBL3806079
SMILES | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 |
InChIKey | MMZLYDNVAYWZLR-CVEARBPZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 368.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pKi | 6.6 | 6.67 | 6.75 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.42 | 5.47 | 5.52 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.87 | 5.96 | 6.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 6.53 | 6.71 | 6.89 | ChEMBL |