CHEMBL1404043
SMILES | CCOC(=O)C1CCCN(c2c(C(=O)c3ccccc3)cnc3ccc(OC)cc23)C1 |
InChIKey | RPXDUOBDXQGUDN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 418.2 |
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 | 5.39 | 5.39 | 5.39 | ChEMBL |
TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 4.94 | 4.94 | 4.94 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |