CHEMBL2086671 [159039]
CHEMBL2086671
| SMILES | C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(-n3cnnn3)cc2)cn1 |
| InChIKey | NCESSPIKSFVRMR-MRXNPFEDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 2.477 |
| Molecular weight (Da) | 452.2 |
| 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 |
CHEMBL2086671
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