CHEMBL1622994
| SMILES | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 |
| InChIKey | SISXVANWPRUSHF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 314.3 |
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 |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.53 | 6.01 | 6.48 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |