Compound Detail
CHEMBL490805
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Basic Information
| ChEMBL ID | CHEMBL490805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJJNOUQXGIYQIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
2.45
ALogP
4
HBA
3
HBD
101.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1002.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 180.0 | nM | 6.75 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 18805693 |
| Plasmodium falciparum | IC50 | = | 1002.0 | nM | 6.0 | Ex vivo inhibition of Plasmodium falciparum growth in cultured cells after 48hrs... | 18805693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805693 | 10.1016/j.bmcl.2008.09.030 | Unchecked | 1 |
| 18805693 | 10.1016/j.bmcl.2008.09.030 | Plasmodium falciparum | 1 |
| 18805693 | 10.1016/j.bmcl.2008.09.030 | Plasmodium berghei | 1 |
| 18805693 | 10.1016/j.bmcl.2008.09.030 | KB | 1 |
| 18805693 | 10.1016/j.bmcl.2008.09.030 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine