CHEMBL116140
SMILES | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 |
InChIKey | RNDCUJZLFBWJHF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 14 |
Molecular weight (Da) | 335.2 |
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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.18 | 7.18 | 7.18 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |