Compound Detail
CHEMBL1632228
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Basic Information
| ChEMBL ID | CHEMBL1632228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOPZAXDZJJIBHI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.45
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.05 | 6.83 | 9.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against multidrug resistant HIV1 RTMDR containing reverse tra... | 21049929 |
| Human immunodeficiency virus 1 | EC50 | = | 91.2 | nM | 7.04 | Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells after 4 day... | 21049929 |
| Human immunodeficiency virus 1 | EC50 | = | 410.0 | nM | 6.39 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as reduc... | 21049929 |
| Human immunodeficiency virus 1 | EC50 | = | 1430.0 | nM | 5.84 | Antiviral activity against multidrug resistant HIV1 A17 containing reverse trans... | 21049929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21049929 | 10.1021/jm100738d | Human immunodeficiency virus 1 | 6 |
| 21049929 | 10.1021/jm100738d | Unchecked | 2 |
| 21049929 | 10.1021/jm100738d | ADMET | 1 |
| 21049929 | 10.1021/jm100738d | MT2 | 1 |
Data from ChEMBL 36 via Core Engine