3-MPPTS
| SMILES | COc1ccccc1Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1 |
| InChIKey | GJWZEUKWBMFOAA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 452.1 |
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 | 5.15 | 5.16 | 5.18 | Guide to Pharmacology |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 5.5 | 6.25 | 7.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.97 | 6.97 | 6.97 | Guide to Pharmacology |