CHEMBL1938943
SMILES | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 |
InChIKey | AHXXBKJYVHGSMP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 423.1 |
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 |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.38 | 7.38 | 7.38 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.6 | 5.6 | 5.6 | ChEMBL |