Compound Detail
CHEMBL32926
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Basic Information
| ChEMBL ID | CHEMBL32926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OALUGYLIPAUKCN-UHFFFAOYSA-N |
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
4.89
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD(P)H dehydrogenase [quinone] 1 CHEMBL3623 | IC50 | 6.7 | 6.445 | 200.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.72 | 18890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD(P)H dehydrogenase [quinone] 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant NQO1 | 17999461 |
| NAD(P)H dehydrogenase [quinone] 1 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of human recombinant NQO1 in presence of BSA | 17999461 |
| Unchecked | IC50 | = | 18890.0 | nM | 4.72 | Inhibition of Dengue virus 2 recombinant 6xHis-tagged NS2B/NS3 serine protease u... | 26807547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003523 | 10.1021/jm960450v | Human immunodeficiency virus type 1 integrase | 4 |
| 17999461 | 10.1021/jm070472p | MIA PaCa-2 | 3 |
| 17999461 | 10.1021/jm070472p | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 26807547 | 10.1016/j.ejmech.2015.12.030 | Unchecked | 2 |
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
| - | 10.1007/s00044-010-9520-1 | Human immunodeficiency virus type 1 integrase | 1 |
| 26807547 | 10.1016/j.ejmech.2015.12.030 | dengue virus type 2 | 1 |
| 26807547 | 10.1016/j.ejmech.2015.12.030 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine