Compound Detail
CHEMBL1735689
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CCCCC(=O)OCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O
Basic Information
| ChEMBL ID | CHEMBL1735689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOCKGBMQLCSHFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
723.6
MW (Da)
2.46
ALogP
13
HBA
5
HBD
215.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.17 | 5.17 | 6824.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tegument protein VP16 | IC50 | = | 6824.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine