L741742
SMILES | Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1 |
InChIKey | QDMAKDIDFJTXEL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 380.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.46 | 8.48 | 8.6 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.11 | 6.15 | 6.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |