Compound Detail
CHEMBL5596570
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Basic Information
| ChEMBL ID | CHEMBL5596570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVYMTDDCTDWZNQ-UNDGMBGUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
5.72
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Allosteric inhibition of HIV-1 integrase by ELISA based IN-DNA assembly/Strand t... | 38942126 |
| Human immunodeficiency virus 1 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against wild type HIV-1 NL4-3 infected in human MT4 cells ass... | 38942126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38942126 | 10.1016/j.bmcl.2024.129864 | Human immunodeficiency virus type 1 integrase | 1 |
| 38942126 | 10.1016/j.bmcl.2024.129864 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine