CHEMBL4108809
| SMILES | CCSc1cccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)c1 |
| InChIKey | IBCFOEWIUJZKRT-QGZVFWFLSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 340.2 |
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 |
| TA1 | TAAR1 | Rat | Trace amine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
| TA1 | TAAR1 | Mouse | Trace amine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |