Compound Detail
CHEMBL3297960
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Basic Information
| ChEMBL ID | CHEMBL3297960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIXWIGKGKHTJLR-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.77
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.3 | 6.365 | 5.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against wild type HIV1 3B infected in human MT4 cells assesse... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against zidovudine-resistant HIV1 harboring RT 67N, 70R, 215F... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against N119-sensitive HIV1 harboring Y181C mutant infected i... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against A17-sensitive HIV1 harboring 103N, 181C mutant infect... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 6000.0 | nM | 5.22 | Antiviral activity against efavirenz-resistant HIV1 harboring RT 100I, 103R, 179... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity against saquinavir-resistant HIV1 infected in human MT4 cells... | 24805780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24805780 | 10.1021/jm500139a | Human immunodeficiency virus 1 | 7 |
| 24805780 | 10.1021/jm500139a | MT4 | 1 |
Data from ChEMBL 36 via Core Engine