CHEMBL196514
SMILES | C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O |
InChIKey | SDAMYSWGWHXMRT-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 422.2 |
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 |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.16 | 8.63 | 9.1 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |