Compound Detail
CHEMBL569051
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Basic Information
| ChEMBL ID | CHEMBL569051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEWGWVLWFRHFOC-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.67
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.23 | 7.702 | 0.6 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.59 | nM | 9.23 | Antiviral activity against multidrug resistant HIV1 RTMDR containing reverse tra... | 21049929 |
| Human immunodeficiency virus 1 | EC50 | = | 6.7 | nM | 8.17 | Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells assessed as... | 19666220 |
| Human immunodeficiency virus 1 | EC50 | = | 9.03 | nM | 8.04 | Antiviral activity against HIV1 RTMDR1 infected in human TZM-bl cells assessed a... | 19666220 |
| Human immunodeficiency virus 1 | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against multidrug resistant HIV1 A17 containing reverse trans... | 21049929 |
| Human immunodeficiency virus 1 | EC50 | = | 424.0 | nM | 6.37 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... | 19666220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21049929 | 10.1021/jm100738d | Human immunodeficiency virus 1 | 4 |
| 19666220 | 10.1016/j.bmcl.2009.07.080 | Human immunodeficiency virus 1 | 3 |
| 19666220 | 10.1016/j.bmcl.2009.07.080 | Unchecked | 3 |
| 19666220 | 10.1016/j.bmcl.2009.07.080 | MT2 | 1 |
| 19666220 | 10.1016/j.bmcl.2009.07.080 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine