CHEMBL448975
| SMILES | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5C[C@H]6C[C@H]5CN6C)c(Cl)c4=O)c3C)cc2)cn1 |
| InChIKey | YBHJURJWBBFPSN-RPBOFIJWSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 570.2 |
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 |
| MRGPRX1 | MRGX1 | Human | A orphans | A | pEC50 | 6.97 | 6.97 | 6.97 | ChEMBL |