Compound Detail
CHEMBL2316507
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Basic Information
| ChEMBL ID | CHEMBL2316507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGIBYUDYKBLSLL-RUDMXATFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.66
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.33 | 7.325 | 46.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 46.7 | nM | 7.33 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 blood stag... | 23273038 |
| Plasmodium falciparum | IC50 | = | 47.73 | nM | 7.32 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum 3D7 blood sta... | 23273038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23273038 | 10.1021/jm301654b | Plasmodium falciparum | 2 |
| 23273038 | 10.1021/jm301654b | Plasmodium berghei | 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 |
Data from ChEMBL 36 via Core Engine