Compound Detail
CHEMBL5429802
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Basic Information
| ChEMBL ID | CHEMBL5429802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZVWYVZLZUQBNX-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.81
ALogP
6
HBA
1
HBD
113.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.75 | 4.795 | 1780.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1780.0 | nM | 5.75 | Anti-HIV activity against wild type HIV-1 IIIB infected in human MT4 cells asses... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 4560.0 | nM | 5.34 | Anti-HIV activity against drug resistant HIV-1 harboring E138K mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 10230.0 | nM | 4.99 | Anti-HIV activity against drug resistant HIV-1 harboring L100I mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 54660.0 | nM | 4.26 | Anti-HIV activity against drug resistant HIV-1 harboring Y181C mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 58910.0 | nM | 4.23 | Anti-HIV activity against drug resistant HIV-1 harboring F227L/V106A mutant infe... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 63130.0 | nM | 4.2 | Anti-HIV activity against drug resistant HIV-1 harboring Y188L 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