CHEMBL3218459
SMILES | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |
InChIKey | FFMZNYWFUDQTJJ-WJOKGBTCSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 27 |
Molecular weight (Da) | 702.4 |
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 |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |