Compound Detail
CHEMBL4759040
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Basic Information
| ChEMBL ID | CHEMBL4759040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHKFCKIMTPFPOJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
4.88
ALogP
6
HBA
2
HBD
79.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.64 | 5.7325 | 230.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against wild type HIV-1 strain 3B infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against HIV-1 E138K mutant strain infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against HIV-1 K103N mutant strain infected in human MT4 cells... | 31767136 |
| Human immunodeficiency virus 1 | EC50 | = | 5600.0 | nM | 5.25 | Antiviral activity against HIV-1 Y181C mutant strain infected in human MT4 cells... | 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