Compound Detail
CHEMBL3290656
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Basic Information
| ChEMBL ID | CHEMBL3290656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNQJREJPOCVQIL-LIGPWKHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
0.21
ALogP
6
HBA
3
HBD
97.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 5.32 | 5.32 | 4827.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 4827.0 | nM | 5.32 | Inhibition of recombinant human AHCY using SAH as substrate assessed as formatio... | 24813734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813734 | 10.1016/j.bmcl.2014.04.034 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine