CHEMBL314554
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1 |
InChIKey | ZVNRWOLYWGGLNB-HWNQJZBBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 23 |
Molecular weight (Da) | 626.3 |
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 |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |