CHEMBL3808613
SMILES | COc1ccc2[nH]c(C(=O)O)c(/C=C/C(=O)Nc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)c2c1 |
InChIKey | NJVMCVNHNUOPCA-BNCZNCEZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 523.1 |
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 |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 4.34 | 4.34 | 4.34 | ChEMBL |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |