CHEMBL2441619
SMILES | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 |
InChIKey | ZKHOZLXKYFBVMY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 295.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 7.41 | 7.58 | 7.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |