T532
SMILES | Cn1nnc(c1)c1ccc(cc1)Cc1c2c(nc(c1)C(=O)N[C@H]1CCOC[C@@H]1O)cco2 |
InChIKey | KDAYHBHQHWHAOK-UWJYYQICSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 433.2 |
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 |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |