CHEMBL1542492
SMILES | CC(NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 |
InChIKey | YKAPTNHJXOXVNR-UKTHLTGXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 311.1 |
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 |
CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |