Compound Detail
CHEMBL237218
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Basic Information
| ChEMBL ID | CHEMBL237218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRABZNCEORFHCH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.81
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 10.6 | 7.35 | 0.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.025 | nM | 10.6 | Antiviral activity against wild type HIV1 NL4-3 in MT4 cells after 5 days by MTT... | 18052319 |
| Human immunodeficiency virus 1 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 18052319 |
| Human immunodeficiency virus 1 | EC50 | = | 550.0 | nM | 6.26 | Antiviral activity against HIV1 with reverse transcriptase K103N mutation in MT4... | 18052319 |
| Human immunodeficiency virus 1 | EC50 | = | 950.0 | nM | 6.02 | Antiviral activity against HIV1 with reverse transcriptase Y188L mutation in MT4... | 18052319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus 1 | 4 |
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18052319 | 10.1021/jm0708230 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine