Compound Detail
CHEMBL5433611
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5433611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDKWDUOBHETOU-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.95
ALogP
4
HBA
1
HBD
94.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.05 | 5.896 | 90.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 90.0 | nM | 7.05 | Anti-HIV activity against drug resistant HIV-1 harboring E138K mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 1060.0 | nM | 5.97 | Anti-HIV activity against drug resistant HIV-1 harboring L100I mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 1400.0 | nM | 5.85 | Anti-HIV activity against drug resistant HIV-1 harboring Y181C mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 3300.0 | nM | 5.48 | Anti-HIV activity against drug resistant HIV-1 harboring K103N mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 7390.0 | nM | 5.13 | Anti-HIV activity against drug resistant HIV-1 harboring F227L/V106A mutant infe... | 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