Compound Detail
CHEMBL4454794
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Basic Information
| ChEMBL ID | CHEMBL4454794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIXFSXQKNSZENK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
1.38
ALogP
7
HBA
0
HBD
107.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | Ki | = | 24.0 | nM | 7.62 | Inhibition of MGMT (unknown origin) | 30565923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30565923 | 10.1021/acs.jmedchem.8b01153 | Methylated-DNA--protein-cysteine methyltransferase | 2 |
Data from ChEMBL 36 via Core Engine