Compound Detail
CHEMBL3409199
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Basic Information
| ChEMBL ID | CHEMBL3409199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWSNGYQKCSGBIT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.8
MW (Da)
4.23
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.97 | 4.835 | 10600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... | 31112894 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of HIV1 reverse transcriptase-associated DNA polymerase-independent R... | 25728026 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of HIV1 reverse transcriptase-associated RNA-dependent DNA polymerase... | 25728026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25728026 | 10.1016/j.ejmech.2015.02.032 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine