Compound Detail
CHEMBL366402
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Basic Information
| ChEMBL ID | CHEMBL366402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKDXAEVIBXHCBE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.30
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 20.0 | nM | 7.7 | Effective dose required to achieve protection of MT-4 cells from HIV-1 induced c... | 14761194 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration required to inhibit the HIV-1 reverse transcriptase act... | 14761194 |
| Human immunodeficiency virus 1 | IC50 | = | 30.0 | nM | 7.52 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761194 | 10.1021/jm0309856 | MT4 | 2 |
| 14761194 | 10.1021/jm0309856 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 14761194 | 10.1021/jm0309856 | Unchecked | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine