CHEMBL3618190
SMILES | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 |
InChIKey | YSUCSHSFOQEYCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 460.0 |
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 |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
S1P2 | S1PR2 | Rat | Lysophospholipid (S1P) | A | pIC50 | 6.16 | 6.16 | 6.16 | ChEMBL |