Compound Detail
CHEMBL339815
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Basic Information
| ChEMBL ID | CHEMBL339815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEADYQMWJKSLPM-KBXRYBNXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.30
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.1 | 6.1 | 794.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 800.0 | nM | 6.1 | Compound concentration required to reduce HIV-1 Integrase 3'-processing activity... | 9767632 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 794.33 | nM | 6.1 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of alpha-glucosidase (unknown origin) using PNP glycoside as substrat... | 28242551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28242551 | 10.1016/j.ejmech.2017.02.007 | Unchecked | 2 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine