Compound Detail
CHEMBL5419681
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Basic Information
| ChEMBL ID | CHEMBL5419681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTTLJGJZDJNREA-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.39
ALogP
4
HBA
1
HBD
94.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.02 | 4.8917 | 960.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 960.0 | nM | 6.02 | Anti-HIV activity against wild type HIV-1 IIIB infected in human MT4 cells asses... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 7340.0 | nM | 5.13 | Anti-HIV activity against drug resistant HIV-1 harboring E138K mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 9180.0 | nM | 5.04 | Anti-HIV activity against drug resistant HIV-1 harboring L100I mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 17090.0 | nM | 4.77 | Anti-HIV activity against drug resistant HIV-1 harboring Y181C mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 55750.0 | nM | 4.25 | Anti-HIV activity against drug resistant HIV-1 harboring Y188L mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 71560.0 | nM | 4.14 | Anti-HIV activity against drug resistant HIV-1 harboring K103N mutant infected i... | 36577220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36577220 | 10.1016/j.ejmech.2022.115042 | Human immunodeficiency virus 1 | 7 |
| 36577220 | 10.1016/j.ejmech.2022.115042 | MT4 | 1 |
| 36577220 | 10.1016/j.ejmech.2022.115042 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine