CHEMBL3647033 [253663]
CHEMBL3647033
| SMILES | CCn1nc(C2CC2)c(F)c1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC[C@@H](OC)C(C)(C)C3)c2C1 |
| InChIKey | AUPXCCJGCDFWIR-XMMPIXPASA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 5.684 |
| Molecular weight (Da) | 572.3 |
| 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 |
CHEMBL3647033
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