CHEMBL183221
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |
InChIKey | SPTAXSFFLMLIAF-HWNQJZBBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 26 |
Molecular weight (Da) | 700.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.08 | 7.08 | 7.08 | ChEMBL |