CHEMBL1485010
SMILES | O=C(OCn1ncc(Br)c(Br)c1=O)c1ccc(F)cc1 |
InChIKey | FJCYBRSOBUDNOK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 403.9 |
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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.87 | 4.87 | 4.87 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 4.99 | 4.99 | 4.99 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.6 | 5.6 | 5.6 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 4.73 | 4.95 | 5.17 | ChEMBL |