CHEMBL1771812 [124513]
CHEMBL1771812
| SMILES | Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCNC(=O)CCCCc3cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)cc2)c2nc(-c3ccco3)nn12 |
| InChIKey | VBXNKQUDWVBLCP-PZAUNDBVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 22 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 43 |
| Log P | 4.383 |
| Molecular weight (Da) | 1183.6 |
| 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 |
CHEMBL1771812
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