Compound Detail
CHEMBL239126
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Basic Information
| ChEMBL ID | CHEMBL239126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWRCDNYKZMOZEX-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.28
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.6
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.66 | 6.66 | 218.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.6 | 5.558 | 250.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 218.0 | nM | 6.66 | Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of vira... | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 250.0 | nM | 6.6 | Inhibition of wild type HIV1 3B reverse transcriptase | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 500.0 | nM | 6.3 | Inhibition of HIV1 reverse transcriptase V106A mutant | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 5000.0 | nM | 5.3 | Inhibition of HIV1 reverse transcriptase V179D mutant | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 10000.0 | nM | 5.0 | Inhibition of HIV1 reverse transcriptase L100I mutant | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 25700.0 | nM | 4.59 | Inhibition of HIV1 reverse transcriptase Y188L mutant | 17910429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910429 | 10.1021/jm070811e | Unchecked | 6 |
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus type 1 reverse transcriptase | 6 |
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus 1 | 1 |
| 17910429 | 10.1021/jm070811e | MT4 | 1 |
Data from ChEMBL 36 via Core Engine