Compound Detail
CHEMBL126931
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Basic Information
| ChEMBL ID | CHEMBL126931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIIAXSMWSIXEKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.21
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.38 | 4.38 | 41400.0 | 1 |
| CEM-SS CHEMBL614548 | IC50 | 4.38 | 4.38 | 41400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 41400.0 | nM | 4.38 | Tested for inhibitory concentration on HIV-I Lai wild type in CEM-SS cell line | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 41400.0 | nM | 4.38 | Inhibition of wild type HIV-1-IIIB strain replication in CEM-SS cells | 7473595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052800 | 10.1021/jm0009437 | CEM-SS | 2 |
| 7473595 | 10.1021/jm00023a007 | CEM-SS | 2 |
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus 1 | 1 |
| 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