Compound Detail
CHEMBL4979552
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Basic Information
| ChEMBL ID | CHEMBL4979552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FODVBGKXLDJHIR-INIZCTEOSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
3.35
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.71 | 6.55 | 195.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 195.0 | nM | 6.71 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 257.0 | nM | 6.59 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| Plasmodium falciparum | IC50 | = | 269.0 | nM | 6.57 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 309.0 | nM | 6.51 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 429.0 | nM | 6.37 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 9 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine