Compound Detail
CHEMBL3357797
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Basic Information
| ChEMBL ID | CHEMBL3357797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUIYPHIFMLGHFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.40
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 3.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 3.82 | 3.82 | 150000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 3.82 | 3.82 | 150000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 150000.0 | nM | 3.82 | Binding affinity to HIV-1 TAR RNA by Tat-TAR fluorimetric competition assay | 25466178 |
| Unchecked | IC50 | = | 150000.0 | nM | 3.82 | Binding affinity to HIV1 TAR RNA assessed as inhibition of Tat-mediated transact... | 37186875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466178 | 10.1016/j.bmcl.2014.11.004 | Nucleic Acid | 2 |
| 37186875 | 10.1021/acs.jmedchem.3c00034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine