Compound Detail
CHEMBL353986
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Basic Information
| ChEMBL ID | CHEMBL353986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYQVBYVHKBMZGU-JTQLQIEISA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.72
ALogP
3
HBA
1
HBD
41.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.18
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.18 | 4.165 | 66000.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.15 | 4.15 | 70145.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 70794.6 | 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 | = | 4200.0 | nM | 5.38 | Effective concentration against HIV-1 reverse transcriptase | 10072684 |
| Human immunodeficiency virus 1 | IC50 | = | 66000.0 | nM | 4.18 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1995896 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 70145.53 | nM | 4.15 | Inhibition of HIV1 reverse transcriptase | 18760864 |
| Unchecked | IC50 | = | 70794.58 | nM | 4.15 | Inhibition of HIV reverse transcriptase | 20060625 |
| Human immunodeficiency virus 1 | IC50 | = | 70794.58 | nM | 4.15 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995896 | 10.1021/jm00106a040 | MT4 | 2 |
| 1995896 | 10.1021/jm00106a040 | Human immunodeficiency virus 1 | 1 |
| 10072684 | 10.1021/jm980277y | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18760864 | 10.1016/j.ejmech.2008.07.020 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine