CHEMBL119239
SMILES | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O |
InChIKey | BYMIMTPDQNLDHL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 14 |
Molecular weight (Da) | 373.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.39 | 7.39 | 7.39 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |