Compound Detail
CHEMBL279386
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Basic Information
| ChEMBL ID | CHEMBL279386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBERQIQSQYUQQP-BJMVGYQFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.62
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.17 | 5.6775 | 680.0 | 4 |
| Plasmepsin II CHEMBL4414 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 680.0 | nM | 6.17 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 750.0 | nM | 6.12 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| Plasmepsin II | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Plasmodium falciparum plasmepsin 2 | 26188621 |
| Plasmodium falciparum | IC50 | = | 6500.0 | nM | 5.19 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... | 17112640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Mus musculus | 4 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Homo sapiens | 2 |
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| 11728189 | 10.1021/jm0101747 | Mus musculus | 2 |
| 21539383 | 10.1021/jm2002348 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Prostaglandin G/H synthase 2 | 1 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 11728189 | 10.1021/jm0101747 | Unchecked | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Plasmodium falciparum | 1 |
| 17964170 | 10.1016/j.bmc.2007.10.006 | ATP-dependent translocase ABCB1 | 1 |
| 21539383 | 10.1021/jm2002348 | ADMET | 1 |
| 22310230 | 10.1016/j.bmcl.2011.12.141 | Androgen receptor | 1 |
| 26188621 | 10.1016/j.ejmech.2015.06.052 | Plasmepsin II | 1 |
Data from ChEMBL 36 via Core Engine