CHEMBL3189750 [217242]
CHEMBL3189750
| SMILES | CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(OC(C)C)cc3)nnn2-c2nonc2N)CC1 |
| InChIKey | PSCYMHJAJFMXMI-WYMPLXKRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 2.016 |
| Molecular weight (Da) | 467.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL3189750
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