Compound Detail
CHEMBL2030291
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Basic Information
| ChEMBL ID | CHEMBL2030291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFAUEACPHCHILX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
6.07
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.23 | 6.86 | 59.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Inhibition of Plasmodium falciparum cytochrome b-c1 complex using decylubiquinol... | 22364417 |
| Plasmodium falciparum | IC50 | = | 59.0 | nM | 7.23 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 inf... | 22364417 |
| Plasmodium falciparum | IC50 | = | 326.0 | nM | 6.49 | Antimalarial activity against atoquinone-resistant Plasmodium falciparum TM90C2B... | 22364417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364417 | 10.1021/jm201184h | Plasmodium falciparum | 2 |
| 22364417 | 10.1021/jm201184h | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine