CHEMBL3885229
SMILES | CCc1ccccc1-c1cccc2cc(CNCC(N)C(=O)O)sc12 |
InChIKey | JWSRNECCLVFGPX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 354.1 |
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 |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.81 | 5.81 | 5.81 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.51 | 5.51 | 5.51 | ChEMBL |