CHEMBL3196139
SMILES | COc1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 |
InChIKey | MDECPEJRIVFAAD-QOCHGBHMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 331.1 |
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 |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 4.84 | 4.84 | 4.84 | ChEMBL |