Compound Detail
CHEMBL3342982
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Basic Information
| ChEMBL ID | CHEMBL3342982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTVJUUWNFTZRLG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.8
MW (Da)
4.21
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.85 | 6.6667 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 14.0 | nM | 7.85 | Antiviral activity against wild type HIV1 3B infected in human MT2 cells assesse... | 25408842 |
| Human immunodeficiency virus 1 | EC50 | = | 710.0 | nM | 6.15 | Antiviral activity against wild type HIV1 harboring reverse transcriptase K103N/... | 25408842 |
| Human immunodeficiency virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against wild type HIV1 harboring reverse transcriptase Y181C ... | 25408842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408842 | 10.1021/ml5003713 | Human immunodeficiency virus 1 | 3 |
| 25408842 | 10.1021/ml5003713 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine