LATREPIRDINE
SMILES | Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 |
InChIKey | JNODQFNWMXFMEV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 319.2 |
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 |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.47 | 7.51 | 7.58 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.8 | 6.3 | 6.8 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.94 | 6.01 | 6.05 | ChEMBL |