Compound Detail
CHEMBL258722
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Basic Information
| ChEMBL ID | CHEMBL258722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPIWCZFYODCBAS-APOSLCTFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
-0.25
ALogP
8
HBA
3
HBD
158.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of Plasmodium falciparum recombinant SAHH | 18374570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18374570 | 10.1016/j.bmcl.2008.03.029 | Unchecked | 2 |
| 18374570 | 10.1016/j.bmcl.2008.03.029 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine