Compound Detail
CHEMBL5314060
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Basic Information
| ChEMBL ID | CHEMBL5314060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHEHRQCMJDKVAJ-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
5.59
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.32 | 5.988 | 478.0 | 5 |
| HepG2 CHEMBL395 | IC50 | 5.46 | 5.3833 | 3450.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 478.0 | nM | 6.32 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1170.0 | nM | 5.93 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1410.0 | nM | 5.85 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | 38116432 |
| HepG2 | IC50 | = | 3450.0 | nM | 5.46 | Re-testing in dose-response curve in HepG2 cytotoxicity assay, at 72h | 38116432 |
| HepG2 | IC50 | = | 4110.0 | nM | 5.39 | Re-testing in dose-response curve in HepG2 cytotoxicity assay, at 72h | 38116432 |
| HepG2 | IC50 | = | 5010.0 | nM | 5.3 | Hit confirmation in dose-response curve in HepG2 cytotoxicity assay, at 72h | 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