FAUC 113
SMILES | Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1 |
InChIKey | XVPRVMIFXXOEFR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 326.1 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.42 | 6.42 | 6.42 | ChEMBL |
D4 | DRD4 | Rat | Dopamine | A | pKi | 8.51 | 8.55 | 8.59 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 4.92 | 5.23 | 5.55 | ChEMBL |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.44 | 8.52 | 8.7 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.3 | 5.31 | 5.41 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.37 | 5.48 | 5.66 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.8 | 7.86 | 7.92 | ChEMBL |