Compound Detail
CHEMBL4855930
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Basic Information
| ChEMBL ID | CHEMBL4855930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVKJXCAODRMJBY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
6.09
ALogP
5
HBA
1
HBD
56.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.6 | 6.51 | 253.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 253.0 | nM | 6.6 | Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... | 34413963 |
| Plasmodium falciparum | IC50 | = | 384.0 | nM | 6.42 | Antiplasmodial activity against multi drug resistant synchronized Plasmodium fal... | 34413963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Plasmodium falciparum | 2 |
| 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