TUG-424
| SMILES | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C |
| InChIKey | FODHWOBAQBTTFS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 264.1 |
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 |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 8.52 | 8.52 | 8.52 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pKi | 6.52 | 6.52 | 6.52 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.57 | 7.57 | 7.57 | Guide to Pharmacology |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |