Compound Detail
CHEMBL5313534
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Basic Information
| ChEMBL ID | CHEMBL5313534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEDCPTKNGXNEPG-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
4.03
ALogP
4
HBA
2
HBD
46.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.36 | 5.9133 | 434.0 | 6 |
| HepG2 CHEMBL395 | IC50 | 5.18 | 5.17 | 6650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 434.0 | nM | 6.36 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 501.0 | nM | 6.3 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 977.0 | nM | 6.01 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1050.0 | nM | 5.98 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 1550.0 | nM | 5.81 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | 38116432 |
| HepG2 | IC50 | = | 6650.0 | nM | 5.18 | Re-testing in dose-response curve in HepG2 cytotoxicity assay, at 72h | 38116432 |
| HepG2 | IC50 | = | 6940.0 | nM | 5.16 | Re-testing in dose-response curve in HepG2 cytotoxicity assay, at 72h | 38116432 |
| Plasmodium falciparum | IC50 | = | 9550.0 | nM | 5.02 | 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