Compound Detail
CHEMBL2180970
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Basic Information
| ChEMBL ID | CHEMBL2180970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIRFLUDGZZMMKO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.7
MW (Da)
4.81
ALogP
5
HBA
3
HBD
111.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.28 | 7.79 | 5.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5.3 | nM | 8.28 | Antiviral activity against HIV1 expressing wild type reverse transcriptase infec... | 23137340 |
| Human immunodeficiency virus 1 | EC50 | = | 14.0 | nM | 7.85 | Antiviral activity against NNRTI-resistant HIV1 harboring reverse transcriptase ... | 23137340 |
| Human immunodeficiency virus 1 | EC50 | = | 57.0 | nM | 7.24 | Antiviral activity against NNRTI-resistant HIV1 harboring reverse transcriptase ... | 23137340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23137340 | 10.1021/jm301294g | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine