Compound Detail
CHEMBL2316521
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Basic Information
| ChEMBL ID | CHEMBL2316521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKRMBAYHOPABD-KPKJPENVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
422.0
MW (Da)
6.03
ALogP
3
HBA
2
HBD
54.0
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 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.96 | 7.91 | 11.0 | 3 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.0 | nM | 7.96 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 blood stag... | 23273038 |
| Plasmodium falciparum | IC50 | = | 11.0 | nM | 7.96 | Antimalarial activity against synchronous culture of Plasmodium falciparum W2 ri... | 28800458 |
| Plasmodium falciparum | IC50 | = | 15.63 | nM | 7.81 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum 3D7 blood sta... | 23273038 |
| Plasmodium berghei | IC50 | = | 2500.0 | nM | 5.6 | Antiplasmodial activity against Plasmodium berghei liver stage form transfected ... | 23273038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23273038 | 10.1021/jm301654b | Plasmodium berghei | 3 |
| 23273038 | 10.1021/jm301654b | Plasmodium falciparum | 2 |
| 23273038 | 10.1021/jm301654b | Mus musculus | 1 |
| 23273038 | 10.1021/jm301654b | Unchecked | 1 |
| 24184076 | 10.1016/j.bmcl.2013.10.025 | ADMET | 1 |
| 24184076 | 10.1016/j.bmcl.2013.10.025 | MCF7 | 1 |
| 24184076 | 10.1016/j.bmcl.2013.10.025 | Caco-2 | 1 |
| 24184076 | 10.1016/j.bmcl.2013.10.025 | NON-PROTEIN TARGET | 1 |
| 28800458 | 10.1016/j.ejmech.2017.07.061 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine