Compound Detail
CHEMBL219541
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Basic Information
| ChEMBL ID | CHEMBL219541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSWNEIKWRXLNCH-UHFFFAOYSA-N |
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.24
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.64 | 5.64 | 2300.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.35 | 5.35 | 4510.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.52 | 4.515 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2300.0 | nM | 5.64 | Antimalarial activity against Plasmodium falciparum W2 incubated for 24 hrs | 33333397 |
| Plasmodium falciparum | IC50 | = | 2300.0 | nM | 5.64 | Antiplasmodial activity against Plasmodium falciparum W2 assessed as inhibition ... | 38421618 |
| PC-3 | IC50 | = | 4000.0 | nM | 5.4 | Growth inhibition of human PC3 cells by MTT assay | 24374273 |
| HL-60 | IC50 | = | 4510.0 | nM | 5.35 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
| A549 | IC50 | = | 5000.0 | nM | 5.3 | Growth inhibition of human A549 cells by MTT assay | 24374273 |
| LoVo | IC50 | = | 8000.0 | nM | 5.1 | Growth inhibition of human LoVo cells by MTT assay | 24374273 |
| SK-MEL-28 | IC50 | = | 13000.0 | nM | 4.89 | Growth inhibition of human SK-MEL-28 cells by MTT assay | 24374273 |
| NON-PROTEIN TARGET | IC50 | = | 30000.0 | nM | 4.52 | Growth inhibition of human U373 cells by MTT assay | 24374273 |
| NON-PROTEIN TARGET | IC50 | = | 31000.0 | nM | 4.51 | Growth inhibition of human Hs683 cells by MTT assay | 24374273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24374273 | 10.1016/j.bmcl.2013.12.049 | NON-PROTEIN TARGET | 2 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 2 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | No relevant target | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LoVo | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | PC-3 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | SK-MEL-28 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | A549 | 1 |
| 38421618 | 10.1021/acs.jnatprod.3c01285 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine