CHEMBL3102987
SMILES | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO |
InChIKey | WUTQUIJLYBEKGV-WIYYLYMNSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 398.2 |
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 |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.06 | 6.06 | 6.06 | ChEMBL |