Compound Detail
CHEMBL2030004
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 | CHEMBL2030004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGTGACXAWLRXHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.21
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 7.28 | 52.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.24 | 6.24 | 579.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52.9 | nM | 7.28 | Inhibition of Plasmodium falciparum recombinant NDH2 expressed in Escherichia co... | 22364416 |
| Plasmodium falciparum | IC50 | = | 579.0 | nM | 6.24 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 | 22364416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364416 | 10.1021/jm201179h | Unchecked | 1 |
| 22364416 | 10.1021/jm201179h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine