CHEMBL1620840
| SMILES | c1ccc(CCn2nnnc2C(c2cccs2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 |
| InChIKey | YVSYLHWDHCXCTK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 488.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |