Compound Detail
CHEMBL4279822
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Basic Information
| ChEMBL ID | CHEMBL4279822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMPDPNURVSVOQD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
2.69
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Gag-Pol polyprotein CHEMBL3638360 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant HIV1 reverse transcriptase RNase H expressed in Escher... | 30031978 |
| Gag-Pol polyprotein | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of recombinant HIV1 reverse transcriptase polymerase expressed in Esc... | 30031978 |
| Human immunodeficiency virus 1 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against HIV1 infected in human P4R5 cells assessed as reducti... | 30031978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Unchecked | 2 |
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Human immunodeficiency virus 1 | 1 |
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Human immunodeficiency virus type 1 integrase | 1 |
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Gag-Pol polyprotein | 1 |
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine