CHEMBL210352
SMILES | CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 |
InChIKey | SJSQQBATFXLXQC-LEWJYISDSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 405.2 |
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 |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.48 | 8.48 | 8.48 | ChEMBL |