CHEMBL4483569
SMILES | CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |
InChIKey | OIRZLTZLOKARTG-FQEVSTJZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 454.2 |
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-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.05 | 9.05 | 9.05 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.18 | 6.18 | 6.18 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.34 | 7.34 | 7.34 | ChEMBL |