CHEMBL236676
SMILES | CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 |
InChIKey | MFLUAACJGOHFDP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 452.1 |
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 |
H3 | HRH3 | Human | Histamine | A | pKd | 7.89 | 7.89 | 7.89 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.89 | 7.89 | 7.89 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |