Compound Detail
CHEMBL5310718
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Basic Information
| ChEMBL ID | CHEMBL5310718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYKHQXXYYUNXJO-RYUDHWBXSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
2.13
ALogP
6
HBA
1
HBD
50.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.13 | 6.0125 | 741.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 741.0 | nM | 6.13 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 933.0 | nM | 6.03 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1290.0 | nM | 5.89 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | 38116432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116432 | 10.1021/acsmedchemlett.3c00369 | Plasmodium falciparum | 10 |
| 38116432 | 10.1021/acsmedchemlett.3c00369 | HepG2 | 3 |
Data from ChEMBL 36 via Core Engine