CHEMBL3770858
| SMILES | Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 |
| InChIKey | RTYLWBBVJYIXHG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 452.2 |
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 | 7.8 | 8.15 | 8.5 | ChEMBL |