Compound Detail
CHEMBL337414
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Basic Information
| ChEMBL ID | CHEMBL337414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBEUQVLNPDEQKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
-0.96
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 50000.0 | nM | 4.3 | Binding affinity to HIV-1 TAR RNA by Tat-TAR fluorimetric competition assay | 25466178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514281 | 10.1021/jm981129a | Nitric oxide synthase 3 | 1 |
| 25466178 | 10.1016/j.bmcl.2014.11.004 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine