CHEMBL3797436
SMILES | CCc1cc(-c2noc(-c3ccc(CN(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO |
InChIKey | TUJQHFUOUKEZIG-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 510.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.25 | 6.25 | 6.25 | ChEMBL |