Compound Detail
CHEMBL4081872
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Basic Information
| ChEMBL ID | CHEMBL4081872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEKAWFKZGQYIIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.8
MW (Da)
2.37
ALogP
8
HBA
2
HBD
125.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 46.0 | nM | 7.34 | Antiviral activity against wild-type HIV1 3B infected in human MT4 cells assesse... | 28254696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254696 | 10.1016/j.ejmech.2017.02.047 | Human immunodeficiency virus 1 | 2 |
| 28254696 | 10.1016/j.ejmech.2017.02.047 | Unchecked | 1 |
| 28254696 | 10.1016/j.ejmech.2017.02.047 | MT4 | 1 |
| 28254696 | 10.1016/j.ejmech.2017.02.047 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine