Compound Detail
CHEMBL3342985
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Basic Information
| ChEMBL ID | CHEMBL3342985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVPVTZWWIPJAHF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
4.09
ALogP
6
HBA
1
HBD
97.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.66 | 8.2233 | 2.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2.2 | nM | 8.66 | Antiviral activity against wild type HIV1 3B infected in human MT2 cells assesse... | 25408842 |
| Human immunodeficiency virus 1 | EC50 | = | 7.5 | nM | 8.12 | Antiviral activity against wild type HIV1 harboring reverse transcriptase K103N/... | 25408842 |
| Human immunodeficiency virus 1 | EC50 | = | 13.0 | nM | 7.89 | 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