Compound Detail
CHEMBL287131
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Basic Information
| ChEMBL ID | CHEMBL287131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DONZOWKWCUROGJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
5.18
ALogP
4
HBA
2
HBD
29.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian immunodeficiency virus CHEMBL613499 | IC50 | 5.33 | 5.33 | 4680.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.26 | 5.12 | 5550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian immunodeficiency virus | IC50 | = | 4680.0 | nM | 5.33 | Concentration required to inhibit the viral (SIV mac251) cytopathic effect by 50... | 12672256 |
| Human immunodeficiency virus 2 | IC50 | = | 5100.0 | nM | 5.29 | Concentration required to inhibit the viral (HIV-2 ROD) cytopathic effect by 50%... | 12672256 |
| Human immunodeficiency virus 1 | IC50 | = | 5550.0 | nM | 5.26 | Concentration required to inhibit the viral (HIV-1 IIIB strain) cytopathic effec... | 12672256 |
| Human immunodeficiency virus 1 | IC50 | = | 6580.0 | nM | 5.18 | Concentration required to inhibit the viral (HIV-1 NL4.3 strain) cytopathic effe... | 12672256 |
| Human immunodeficiency virus 1 | IC50 | = | 11890.0 | nM | 4.92 | Concentration required to inhibit the viral (HIV-1 NNRTI resistant strain) cytop... | 12672256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672256 | 10.1021/jm0211117 | Human immunodeficiency virus 1 | 3 |
| 12672256 | 10.1021/jm0211117 | Human immunodeficiency virus 2 | 1 |
| 12672256 | 10.1021/jm0211117 | Simian immunodeficiency virus | 1 |
| 12672256 | 10.1021/jm0211117 | MT4 | 1 |
| 19000644 | 10.1016/j.ejmech.2008.09.043 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine