Compound Detail
CHEMBL107040
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Basic Information
| ChEMBL ID | CHEMBL107040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGGMJBAZWROVFT-YQQAZPJKSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.51
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.55 | 8.4933 | 2.8 | 3 |
| Unchecked CHEMBL612545 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
| FM3A CHEMBL614297 | EC50 | 5.62 | 5.62 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2.8 | nM | 8.55 | In vitro antimalarial activity against the Plasmodium falciparum FCR3 | 12036365 |
| Plasmodium falciparum | EC50 | = | 2.8 | nM | 8.55 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 10447961 |
| Plasmodium falciparum | EC50 | = | 2.8 | nM | 8.55 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCR-3 ... | 24650700 |
| Plasmodium falciparum | EC50 | = | 4.2 | nM | 8.38 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 10447961 |
| FM3A | EC50 | = | 2400.0 | nM | 5.62 | In vitro cytotoxicity against mouse mammary FM3A cells | 12036365 |
| FM3A | EC50 | = | 2400.0 | nM | 5.62 | Compound was tested for cytotoxicity against FM3A mouse mammary cells. | 10447961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036365 | 10.1021/jm010448q | FM3A | 2 |
| 10447961 | 10.1021/jm990131e | Plasmodium falciparum | 2 |
| 10447961 | 10.1021/jm990131e | NON-PROTEIN TARGET | 2 |
| 12036365 | 10.1021/jm010448q | Unchecked | 1 |
| 10447961 | 10.1021/jm990131e | FM3A | 1 |
| 10447961 | 10.1021/jm990131e | Mus musculus | 1 |
| 24650700 | 10.1016/j.bmc.2014.02.040 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine