AC265347
| SMILES | Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C |
| InChIKey | IGSZVEPQZANNAB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 283.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | CaS |
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 |