Compound Detail
CHEMBL150025
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Basic Information
| ChEMBL ID | CHEMBL150025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUDGLTAVCSEGLS-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.76
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.23
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.23 | 7.17 | 59.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 59.0 | nM | 7.23 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | IC50 | = | 59.0 | nM | 7.23 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus 1 | EC50 | = | 78.0 | nM | 7.11 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4120.0 | nM | 5.38 | HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template... | 12431069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 5 |
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine