CHEMBL5781801 [409053]
CHEMBL5781801
| SMILES | C[C@H](Nc1nc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c2sccc2n1)c1ccccn1 |
| InChIKey | DXJXUCJWIHOWGH-ZDUSSCGKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 3.608 |
| Molecular weight (Da) | 454.2 |
| Stereochemistry info | full |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL5781801
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0