BEFIRADOL
SMILES | Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 |
InChIKey | PKZXLMVXBZICTF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 393.1 |
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-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 4.64 | 4.64 | 4.64 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.07 | 9.07 | 9.07 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.34 | 4.58 | 4.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.59 | 7.61 | 7.63 | ChEMBL |