VPC12249
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O |
| InChIKey | NJLPYJKKKSBCSK-MJPIYRIWSA-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 |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.37 | 6.37 | 6.37 | Guide to Pharmacology |
| LPA1 | LPAR1 | Mouse | Lysophospholipid (LPA) | A | pKi | 5.24 | 6.05 | 6.86 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.19 | 5.78 | 6.37 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |