Compound Detail
CHEMBL2171202
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Basic Information
| ChEMBL ID | CHEMBL2171202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZYZDBZLSSRIBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
1.15
ALogP
6
HBA
3
HBD
118.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 86.0 | nM | 7.07 | Inhibition of AGT in human HL60 cells assessed as AGT levels using [3H]AGT after... | 22932317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22932317 | 10.1016/j.bmcl.2012.08.008 | Methylated-DNA--protein-cysteine methyltransferase | 3 |
| 22932317 | 10.1016/j.bmcl.2012.08.008 | EMT6 | 2 |
Data from ChEMBL 36 via Core Engine