CHEMBL1572001
SMILES | CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1 |
InChIKey | XAEREYCGWABQBL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 287.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 4.41 | 4.41 | 4.41 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.04 | 5.04 | 5.04 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.4 | 5.42 | 5.43 | ChEMBL |