Compound Detail
CHEMBL2407841
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Basic Information
| ChEMBL ID | CHEMBL2407841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCDCYGSBYYORMC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.0
MW (Da)
5.69
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.92 | 5.5633 | 120.0 | 3 |
| KB CHEMBL398 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 120.0 | nM | 6.92 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 24900724 |
| Plasmodium falciparum | IC50 | = | 2320.0 | nM | 5.63 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 24900724 |
| KB | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human KB cells after 72 hrs by Alamar blue assay | 24900724 |
| Plasmodium falciparum | IC50 | = | 71600.0 | nM | 4.14 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 24900724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900724 | 10.1021/ml4001084 | Plasmodium falciparum | 3 |
| 24900724 | 10.1021/ml4001084 | KB | 1 |
| 24900724 | 10.1021/ml4001084 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine