CHEMBL4558185
| SMILES | CC[C@]12C=C(C(=O)OC)n3c(c(CCNC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(C#N)CCC2 |
| InChIKey | IUXSPRUXYTWDEG-UHSQPCAPSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 560.1 |
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 |
| PrRP | PRLHR | Human | Prolactin-releasing peptide | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
| FPR1 | FPR1 | Human | Formylpeptide | A | pIC50 | 5.97 | 5.97 | 5.97 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
| CCR8 | CCR8 | Human | Chemokine | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |