CHEMBL3946995
SMILES | O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1 |
InChIKey | AAELEHAFAYIZRH-WGSAOQKQSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 438.2 |
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 |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.64 | 9.64 | 9.64 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.89 | 9.89 | 9.89 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.86 | 8.86 | 8.86 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |