CHEMBL1500127
SMILES | COc1cc(CN2CCc3ccccc3C2)cc([N+](=O)[O-])c1O |
InChIKey | VKHKAJWKEDGEPV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 314.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 5.17 | 5.17 | 5.17 | ChEMBL |
TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 5.99 | 5.99 | 5.99 | ChEMBL |