Compound Detail
CHEMBL283861
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Basic Information
| ChEMBL ID | CHEMBL283861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJBHPOYDJIZPJP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
3.83
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.58 | 6.6725 | 26.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 26.0 | nM | 7.58 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| Human immunodeficiency virus 1 | IC50 | = | 80.0 | nM | 7.1 | In vitro antiviral activity against NNRTI-resistant DLVR-MF (P236L) HIV-1 varian... | 9554867 |
| Human immunodeficiency virus 1 | IC50 | = | 150.0 | nM | 6.82 | In vitro antiviral activity against NNRTI-resistant IIIB (WT) HIV-1 variant | 9554867 |
| Human immunodeficiency virus 1 | IC50 | = | 6500.0 | nM | 5.19 | In vitro antiviral activity against NNRTI-resistant DLVR-IIIB (L100I) HIV-1 vari... | 9554867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554867 | 10.1021/jm9801049 | Human immunodeficiency virus 1 | 5 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine