Compound Detail
CHEMBL5084805
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Basic Information
| ChEMBL ID | CHEMBL5084805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPILWBONCVGKSR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.48
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.59 | 7.59 | 25.7 | 1 |
| A549 CHEMBL392 | IC50 | 5.35 | 5.35 | 4430.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| BEAS-2B CHEMBL4296403 | IC50 | 4.33 | 4.33 | 46400.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.18 | 4.18 | 65600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25.71 | nM | 7.59 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
| A549 | IC50 | = | 4430.0 | nM | 5.35 | Anticancer activity against human A549 cells assessed as cell growth inhibition ... | 34303874 |
| L02 | IC50 | = | 10900.0 | nM | 4.96 | Anticancer activity against human L02 cells assessed as cell growth inhibition m... | 34303874 |
| BEAS-2B | IC50 | = | 46400.0 | nM | 4.33 | Anticancer activity against human BEAS-2B cells assessed as cell growth inhibiti... | 34303874 |
| HepG2 | IC50 | = | 65600.0 | nM | 4.18 | Anticancer activity against human HepG2 cells assessed as cell growth inhibition... | 34303874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34303874 | 10.1016/j.ejmech.2021.113685 | Plasmodium falciparum | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | A549 | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | HepG2 | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | BEAS-2B | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | L02 | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | ADMET | 1 |
| 34303874 | 10.1016/j.ejmech.2021.113685 | Unchecked | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine