CHEMBL1535546
SMILES | CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21 |
InChIKey | SMUCIPZRAXPYHT-OQLLNIDSSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 391.1 |
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 | 5.88 | 5.88 | 5.88 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.93 | 4.93 | 4.93 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.3 | 5.3 | 5.3 | ChEMBL |