Compound Detail
CHEMBL4777503
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Basic Information
| ChEMBL ID | CHEMBL4777503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URZMEZLSYZNYGL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
4.31
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.54
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.54 | 5.7533 | 290.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Inhibition of HIV-1 reverse transcriptase RNA-dependent DNA polymerase activity ... | 32004936 |
| Human immunodeficiency virus 1 | EC50 | = | 290.0 | nM | 6.54 | Antiviral activity against VSVG/wild-type HIV-1 infected in human HEK 293T cells... | 32004936 |
| Human immunodeficiency virus 1 | EC50 | = | 2130.0 | nM | 5.67 | Antiviral activity against VSVG/HIV-1 harboring reverse transcriptase Y181C muta... | 32004936 |
| Human immunodeficiency virus 1 | EC50 | = | 8950.0 | nM | 5.05 | Antiviral activity against VSVG/HIV-1 harboring reverse transcriptase L100I/K103... | 32004936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32004936 | 10.1016/j.ejmech.2020.112071 | Unchecked | 10 |
| 32004936 | 10.1016/j.ejmech.2020.112071 | Human immunodeficiency virus 1 | 9 |
| 32004936 | 10.1016/j.ejmech.2020.112071 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine