CHEMBL1382438
SMILES | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2Cl)cn1 |
InChIKey | KGNTURBTSFOMRB-CCEZHUSRSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 418.0 |
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 |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.3 | 5.3 | 5.3 | ChEMBL |