Compound Detail
CHEMBL3771399
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Basic Information
| ChEMBL ID | CHEMBL3771399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKRYORDLSYCKBS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.90
ALogP
2
HBA
2
HBD
63.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 68.0 | nM | 7.17 | Inhibition of recombinant human NQO2 assessed as change in rate of decolouration... | 29567345 |
| Plasmodium falciparum | IC50 | = | 1500.0 | nM | 5.82 | Antimalarial activity against Plasmodium falciparum 3D7 asexual cultures grown u... | 29567345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29567345 | 10.1016/j.bmcl.2018.03.025 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
| 29567345 | 10.1016/j.bmcl.2018.03.025 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine