Compound Detail
CHEMBL137542
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 | CHEMBL137542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZAVQJNRLVSWBX-CABCVRRESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
0.17
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.66 | 8.66 | 2.2 | 2 |
| FM3A CHEMBL614297 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 2.2 | nM | 8.66 | In vitro antimalarial activity against Plasmodium falciparum FCR3 | 13678413 |
| Plasmodium falciparum | EC50 | = | 2.2 | nM | 8.66 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCR-3 ... | 24650700 |
| FM3A | EC50 | = | 270.0 | nM | 6.57 | Cytotoxicity against FM3A mouse mammary cells | 13678413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678413 | 10.1021/jm0302086 | Plasmodium berghei | 4 |
| 13678413 | 10.1021/jm0302086 | Plasmodium falciparum | 1 |
| 13678413 | 10.1021/jm0302086 | FM3A | 1 |
| 13678413 | 10.1021/jm0302086 | NON-PROTEIN TARGET | 1 |
| 24650700 | 10.1016/j.bmc.2014.02.040 | Plasmodium falciparum | 1 |
| 24650700 | 10.1016/j.bmc.2014.02.040 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine