Compound Detail
CHEMBL2030012
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2030012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMBCUYPHCLRGAH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
5.23
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.59 | 7.295 | 25.5 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.08 | 6.82 | 83.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.5 | nM | 7.59 | Inhibition of Plasmodium falciparum cytochrome b-c1 complex using decylubiquinol... | 22364416 |
| Plasmodium falciparum | IC50 | = | 83.0 | nM | 7.08 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 | 22364416 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Mtb cytochrome bd inhibition assay: The Mtb cytochrome bd inhibition assay descr... | - |
| Plasmodium falciparum | IC50 | = | 273.0 | nM | 6.56 | Antimalarial activity against atoquinone-resistant Plasmodium falciparum TM90C2B | 22364416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364416 | 10.1021/jm201179h | Plasmodium falciparum | 2 |
| 22364416 | 10.1021/jm201179h | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine