CHEMBL3647029 [253659]
CHEMBL3647029
| SMILES | Cc1ccc2[nH]nc(C)c2c1-c1nc2c(c(N3CC[C@H]4OC[C@H]4C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2 |
| InChIKey | DPSLYXIWYKYUBA-XMSQKQJNSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Log P | 4.689 |
| Molecular weight (Da) | 544.2 |
| 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 |
CHEMBL3647029
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