VPC32183
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1cccnc1)COP(=O)(O)O |
| InChIKey | KMTDWYLEJRZIJN-HWNQJZBBSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 24 |
| Molecular weight (Da) | 602.3 |
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 |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.75 | 7.75 | 7.75 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.76 | 6.76 | 6.76 | Guide to Pharmacology |
| LPA1 | LPAR1 | Mouse | Lysophospholipid (LPA) | A | pIC50 | 6.96 | 6.96 | 6.96 | Guide to Pharmacology |