CHEMBL3646933 [253563]
CHEMBL3646933
| SMILES | COc1ccc(C)c(N2CCc3nc(-c4c(C(C)C)ccc5[nH]ncc45)nc(N4CC[C@H](OC)C(C)(C)C4)c3C2)c1 |
| InChIKey | MLBYIURRTNTQBB-LJAQVGFWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 6.274 |
| Molecular weight (Da) | 554.3 |
| 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 |
CHEMBL3646933
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