compound 26 [PMID: 16190743]
| SMILES | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C |
| InChIKey | SHQNRSGKLNMHOS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 391.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.22 | 9.22 | 9.22 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.16 | 7.16 | 7.16 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.92 | 5.92 | 7.92 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.15 | 7.15 | 7.15 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |