CHEMBL1494120
SMILES | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(Cl)cc2)cn1 |
InChIKey | YHPGXJXWMDNSDU-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 |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.63 | 5.63 | 5.63 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |