CHEMBL1391094
| SMILES | Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1 |
| InChIKey | QKXCOBBZMYPLCG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 391.2 |
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 |
| CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 4.81 | 4.81 | 4.81 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 4.92 | 4.92 | 4.92 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 4.62 | 4.85 | 5.08 | ChEMBL |