MRE 2029F20
SMILES | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 |
InChIKey | DBWQRFKXNBVPGA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 509.2 |
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 |
FFA2 | FFAR2 | Human | Free fatty acid | A | pEC50 | 5.9 | 6.12 | 6.35 | Guide to Pharmacology |
FFA2 | FFAR2 | Mouse | Free fatty acid | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
FFA2 | FFAR2 | Human | Free fatty acid | A | pIC50 | 6.16 | 6.16 | 6.16 | ChEMBL |
FFA2 | FFAR2 | Human | Free fatty acid | A | pEC50 | 6.38 | 6.69 | 7.0 | ChEMBL |