Compound Detail
CHEMBL292138
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Basic Information
| ChEMBL ID | CHEMBL292138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLASIXRCZDFALS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.41
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.43
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 370.0 | nM | 6.43 | Inhibition of HIV-1 reverse transcriptase. | 12723956 |
| Human immunodeficiency virus 1 | IC50 | = | 370.0 | nM | 6.43 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus 1 | EC50 | = | 4900.0 | nM | 5.31 | Antiviral activity against HIV1 infected CEM cells | 17663538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus 1 | 1 |
| 17663538 | 10.1021/jm060103d | CCRF-CEM | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine