Compound Detail
CHEMBL142072
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Basic Information
| ChEMBL ID | CHEMBL142072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEIXAGQRLZTLOV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.16
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Compound was tested for its ability to inhibit the strand transfer of the integr... | 12570367 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus 1 | IC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570367 | 10.1021/jm025553u | MT4 | 2 |
| 12570367 | 10.1021/jm025553u | Human immunodeficiency virus type 1 integrase | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine