Compound Detail
CHEMBL1875655
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Basic Information
| ChEMBL ID | CHEMBL1875655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSZDSEMSNHXVRW-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
3.87
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 7.37 | 7.37 | 42.7 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 43.0 | nM | 7.37 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 3 days by SYBR g... | 29308121 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 42.7 | nM | 7.37 | Inhibition of G9a (unknown origin) | 37974951 |
| Plasmodium falciparum | EC50 | = | 100.0 | nM | 7.0 | Antiplasmodial activity against drug-sensitive Plasmodium falciparum 3D7 | 23587422 |
| HepG2 | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human HepG2 cells after 3 days by CellTiter blue assay | 29308121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29308121 | 10.1039/C7MD00052A | Unchecked | 2 |
| 23587422 | 10.1016/j.bmcl.2013.03.067 | Plasmodium berghei | 1 |
| 23587422 | 10.1016/j.bmcl.2013.03.067 | Plasmodium falciparum | 1 |
| 29308121 | 10.1039/C7MD00052A | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 29308121 | 10.1039/C7MD00052A | Plasmodium falciparum | 1 |
| 29308121 | 10.1039/C7MD00052A | HepG2 | 1 |
| 37974951 | 10.1021/acsmedchemlett.3c00344 | Histone-lysine N-methyltransferase EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine