Compound Detail
CHEMBL4101379
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CCCCCCCC/C=C\CCCCCCCCOC(=O)/C=C/c1ccc(OC(=O)OCC)c(OC(=O)OCC)c1
Basic Information
| ChEMBL ID | CHEMBL4101379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMWRWVCFVMIHFA-TYHMIMIASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.8
MW (Da)
9.35
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.775 | 15600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15600.0 | nM | 4.81 | Inhibition of recombinant HIV-1 group M subtype B RT-RNase H activity expressed ... | 28254698 |
| Unchecked | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of wild-type HIV1 RT associated RNA dependent DNA polymerase activity... | 28254698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254698 | 10.1016/j.ejmech.2017.02.054 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine