CHEMBL1830618 [137816]
CHEMBL1830618
| SMILES | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 |
| InChIKey | IKDADGNGNUKYHI-QLCFTWLVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 28 |
| Log P | 6.332 |
| Molecular weight (Da) | 883.4 |
| Stereochemistry info | full |
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 |
CHEMBL1830618
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