Compound Detail
CHEMBL4286356
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Basic Information
| ChEMBL ID | CHEMBL4286356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWXRJGMASHSQJV-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4301786 |
| Active Moiety | CHEMBL4301786 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
6.70
ALogP
5
HBA
2
HBD
96.3
PSA (Ų)
0.07
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.61 | 4.61 | 24540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 950.0 | nM | 6.02 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 30344904 |
| MRC5 | IC50 | = | 24540.0 | nM | 4.61 | Cytotoxicity against human MRC5 cells after 24 hrs by resazurin assay | 30344904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Unchecked | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Mycobacterium tuberculosis | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Plasmodium falciparum | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine