CHEMBL262906
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NC(COP(=O)(O)O)Cc1ccc(OCc2ccccc2)cc1 |
InChIKey | NJLPYJKKKSBCSK-KTKRTIGZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 24 |
Molecular weight (Da) | 601.4 |
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 |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |