Compound Detail
CHEMBL427856
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Basic Information
| ChEMBL ID | CHEMBL427856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRNMXXMTWQIPHB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.18
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.0 | 6.22 | 100.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of vira... | 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 1 | EC50 | = | 3600.0 | nM | 5.44 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 17910429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus 1 | 5 |
| 17910429 | 10.1021/jm070811e | Unchecked | 1 |
| 17910429 | 10.1021/jm070811e | MT4 | 1 |
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine