Compound Detail
CHEMBL128931
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Basic Information
| ChEMBL ID | CHEMBL128931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLEXSWQYUHOSAR-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
3.09
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.77 | 7.206 | 17.0 | 5 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 6.0 | nM | 8.22 | Tested for inhibitory concentration on HIV-I Lai wild type in CEM-SS cell line | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibitory concentration against HIV-1 Bal/Mono | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against HIV-1 IIIB strain | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 25.0 | nM | 7.6 | Inhibitory concentration against HIV-1 AZTres. | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 85.0 | nM | 7.07 | Inhibitory concentration against HIV-1 IIIB strain | 11052800 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100.0 | nM | 7.0 | Tested for inhibitory concentration on HIV-1 Reverse transcriptase in the presen... | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 1300.0 | nM | 5.89 | Tested for inhibitory concentration on HIV-I nevirapine resistant strain. | 11052800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus 1 | 8 |
| 11052800 | 10.1021/jm0009437 | CEM-SS | 2 |
| 11052800 | 10.1021/jm0009437 | MT4 | 2 |
| 11052800 | 10.1021/jm0009437 | ADMET | 2 |
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11052800 | 10.1021/jm0009437 | Unchecked | 1 |
| 11052800 | 10.1021/jm0009437 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine