Compound Detail
CHEMBL439608
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Basic Information
| ChEMBL ID | CHEMBL439608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIGGIZYAKZTJSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
1.03
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 550.0 | nM | 6.26 | Inhibition of AGT activity to 50% of control rate in HT-29 cell extract | 11063604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063604 | 10.1021/jm000961o | Methylated-DNA--protein-cysteine methyltransferase | 3 |
Data from ChEMBL 36 via Core Engine