Compound Detail
CHEMBL1213959
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Basic Information
| ChEMBL ID | CHEMBL1213959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHTMDPGDPXZJBX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
4.10
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 5.47 | 5.375 | 3400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 150.0 | nM | 6.82 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 3 days by SYBR g... | 29308121 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using peptide H3 (1 to... | 29308121 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using biotin-ARTKQTARK... | 29308121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 29308121 | 10.1039/C7MD00052A | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 29308121 | 10.1039/C7MD00052A | Plasmodium falciparum | 1 |
| 29308121 | 10.1039/C7MD00052A | HepG2 | 1 |
| 29308121 | 10.1039/C7MD00052A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine