Compound Detail
CHEMBL4747887
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Basic Information
| ChEMBL ID | CHEMBL4747887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFEQHSDDJMELAD-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.71
ALogP
7
HBA
2
HBD
102.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.19 | 6.912 | 6.4 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 6.4 | nM | 8.19 | Antiviral activity against wild type HIV-1 strain 3B infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 57.0 | nM | 7.24 | Antiviral activity against HIV-1 E138K mutant strain infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 77.0 | nM | 7.11 | Antiviral activity against HIV-1 K103N mutant strain infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 110.0 | nM | 6.96 | Antiviral activity against HIV-1 Y181C mutant strain infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 8700.0 | nM | 5.06 | Antiviral activity against HIV-1 RES056 mutant strain infected in human MT4 cell... | 31767136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31767136 | 10.1016/j.ejmech.2019.111864 | Human immunodeficiency virus 1 | 6 |
| 31767136 | 10.1016/j.ejmech.2019.111864 | MT4 | 1 |
| 31767136 | 10.1016/j.ejmech.2019.111864 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine