Compound Detail
CHEMBL1914555
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Basic Information
| ChEMBL ID | CHEMBL1914555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOKHOZKILWTAKY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.71
ALogP
4
HBA
3
HBD
95.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.19
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.19 | 6.815 | 65.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of HIV1 integrase strand transfer by biochemical assay | 21945283 |
| Human immunodeficiency virus 1 | EC50 | = | 65.0 | nM | 7.19 | Antiviral activity against pseudo HIV1 infected in human 293T cells after 2 days... | 21945283 |
| Human immunodeficiency virus 1 | EC50 | = | 360.0 | nM | 6.44 | Antiviral activity against pseudo HIV1 infected in human 293T cells after 2 days... | 21945283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21945283 | 10.1016/j.bmcl.2011.08.082 | Human immunodeficiency virus 1 | 2 |
| 21945283 | 10.1016/j.bmcl.2011.08.082 | Human immunodeficiency virus type 1 integrase | 1 |
| 21945283 | 10.1016/j.bmcl.2011.08.082 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine