Compound Detail
CHEMBL428083
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Basic Information
| ChEMBL ID | CHEMBL428083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZODRISOVMXWBO-JGVFFNPUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.2
MW (Da)
0.43
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 4.29 | 4.29 | 51700.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | EC50 | = | 51700.0 | nM | 4.29 | Antiviral activity against wild type HIV | 18029175 |
| Human immunodeficiency virus 1 | EC50 | = | 52000.0 | nM | 4.28 | Antiviral activity against HIV1 3a infected human MT2 cells assessed as inhibiti... | 19179082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18029175 | 10.1016/j.bmcl.2007.10.038 | Human immunodeficiency virus | 1 |
| 19179082 | 10.1016/j.bmc.2008.12.028 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine