CHEMBL1432251
SMILES | COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 |
InChIKey | ZXUIHBQNPSDKNZ-FOCLMDBBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 430.0 |
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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.74 | 5.76 | 5.78 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |