compound 43 [PMID: 26751273]
| SMILES | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C |
| InChIKey | BGAJNPLDJJBRHK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 461.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/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 |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 4.4 | 4.4 | 4.4 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.78 | 7.78 | 7.78 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.78 | 7.78 | 7.78 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.2 | 8.5 | 8.8 | ChEMBL |