CHEMBL3909995
SMILES | CCCc1c(OCc2cccc(Oc3cc(-c4nn[nH]n4)ccn3)c2)ccc(C(C)=O)c1O |
InChIKey | MGXXZMYWNWCFKA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 445.2 |
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 |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 6.96 | 6.96 | 6.96 | ChEMBL |