CHEMBL4798593
SMILES | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12 |
InChIKey | VSIIPXVABDRONW-WGSAOQKQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 397.3 |
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 |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 10.0 | 10.0 | 10.0 | ChEMBL |