Compound Detail
CHEMBL4862830
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Basic Information
| ChEMBL ID | CHEMBL4862830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHCXFUWLOKOVNY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.84
ALogP
6
HBA
3
HBD
71.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.15 | 6.0 | 706.0 | 2 |
| Hemozoin CHEMBL613898 | IC50 | 4.02 | 4.02 | 94600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 706.0 | nM | 6.15 | Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... | 34413963 |
| Plasmodium falciparum | IC50 | = | 1406.0 | nM | 5.85 | Antiplasmodial activity against multi drug resistant synchronized Plasmodium fal... | 34413963 |
| Hemozoin | IC50 | = | 94600.0 | nM | 4.02 | Inhibition of beta-hematin formation measured after 5 hrs by NP40 detergent-base... | 34413963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Plasmodium falciparum | 3 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | No relevant target | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Hemozoin | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine