Compound Detail
CHEMBL294604
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Basic Information
| ChEMBL ID | CHEMBL294604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UATDPISGFUQRMU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
5.35
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against HIV1 infected CEM cells | 17663538 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 2400.0 | nM | 5.62 | Inhibition of HIV-1 reverse transcriptase. | 12723956 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4940.0 | nM | 5.31 | Inhibition of HIV1 NL4-3 reverse transcriptase | 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 type 1 reverse transcriptase | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus 1 | 1 |
| 17663538 | 10.1021/jm060103d | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine