Embelin
SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O |
InChIKey | IRSFLDGTOHBADP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 294.2 |
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 |
GPR84 | GPR84 | Human | A orphans | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR84 | GPR84 | Human | A orphans | A | pEC50 | 4.91 | 6.16 | 7.05 | ChEMBL |