CHEMBL5222597
SMILES | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 |
InChIKey | FBCSWIXKXHSYBN-AZUAARDMSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 340.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 9.17 | 9.17 | 9.17 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 9.14 | 9.14 | 9.14 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 9.41 | 9.41 | 9.41 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.08 | 9.08 | 9.08 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |