Compound Detail
CHEMBL337713
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL337713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKHVWPUUQMFZGF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
0.24
ALogP
6
HBA
2
HBD
106.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | IC50 | 4.03 | 4.03 | 93200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 94500.0 | nM | 4.03 | concentration required to reduce AGT activity to 50% of control rate in intact H... | 11063604 |
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 93200.0 | nM | 4.03 | concentration required to reduce AGT activity to 50% of control rate in intact H... | 11063604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063604 | 10.1021/jm000961o | Methylated-DNA--protein-cysteine methyltransferase | 4 |
Data from ChEMBL 36 via Core Engine