CHEMBL1574879
SMILES | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 |
InChIKey | XNTUIWIKFGPDFS-CCEZHUSRSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 384.0 |
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 |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.89 | 5.96 | 6.03 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.9 | 5.9 | 5.9 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.12 | 5.13 | 5.15 | ChEMBL |