CHEMBL1621328
SMILES | COc1cc(C(C)=O)ccc1OCC(O)CNCC(O)c1ccccc1 |
InChIKey | AFDOVFBOEGXHJE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 359.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 4.91 | 4.91 | 4.91 | ChEMBL |
TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 5.67 | 5.67 | 5.67 | ChEMBL |