Compound Detail
CHEMBL142098
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Basic Information
| ChEMBL ID | CHEMBL142098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMQDOIOUVYOKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.46
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of wild type HIV-1-IIIB strain replication in CEM-SS cells | 7473595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473595 | 10.1021/jm00023a007 | CEM-SS | 2 |
| 7473595 | 10.1021/jm00023a007 | Human immunodeficiency virus 1 | 1 |
| 7473595 | 10.1021/jm00023a007 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine