Compound Detail
CHEMBL5430980
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Basic Information
| ChEMBL ID | CHEMBL5430980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFSQUMZICUUBMV-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.90
ALogP
4
HBA
1
HBD
94.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.43 | 5.1883 | 370.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 370.0 | nM | 6.43 | Anti-HIV activity against drug resistant HIV-1 harboring E138K mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 2060.0 | nM | 5.69 | Anti-HIV activity against drug resistant HIV-1 harboring L100I mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 4410.0 | nM | 5.36 | Anti-HIV activity against drug resistant HIV-1 harboring Y181C mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 16020.0 | nM | 4.79 | Anti-HIV activity against drug resistant HIV-1 harboring F227L/V106A mutant infe... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 20860.0 | nM | 4.68 | Anti-HIV activity against drug resistant HIV-1 harboring K103N mutant infected i... | 36577220 |
| Human immunodeficiency virus 1 | EC50 | = | 65380.0 | nM | 4.18 | 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 |
Data from ChEMBL 36 via Core Engine