CHEMBL3747781 [274539]
CHEMBL3747781
| SMILES | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 |
| InChIKey | DVQIVEMLCDIXIH-FPOVZHCZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Log P | 2.354 |
| Molecular weight (Da) | 417.2 |
| 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 |
CHEMBL3747781
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