CHEMBL333335
SMILES | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 |
InChIKey | MMKMRZFTPGRQEQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 15 |
Molecular weight (Da) | 371.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.13 | 7.13 | 7.13 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.08 | 7.42 | 8.77 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.52 | 9.52 | 9.52 | ChEMBL |