Compound Detail
CHEMBL28242
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Basic Information
| ChEMBL ID | CHEMBL28242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWSKHLMYTZNYKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
130.2
MW (Da)
0.85
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxyhypusine synthase CHEMBL6074 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxyhypusine synthase | Ki | = | 50000.0 | nM | 4.3 | Inhibition of recombinant deoxyhypusine synthase in Plasmodium falciparum NF54 | 17591443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19648006 | 10.1016/j.bmcl.2009.07.086 | J774 | 6 |
| 2329556 | 10.1021/jm00167a014 | L1210 | 1 |
| 17591443 | 10.1016/j.bmc.2007.06.026 | Deoxyhypusine synthase | 1 |
| 19648006 | 10.1016/j.bmcl.2009.07.086 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine