Compound Detail
CHEMBL419393
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Basic Information
| ChEMBL ID | CHEMBL419393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWXWTVUEORINIV-VDAHYXPESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
281.7
MW (Da)
-0.15
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 6.71 | 6.37 | 195.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 195.0 | nM | 6.71 | Inhibition of recombinant human AHCY using SAH as substrate assessed as formatio... | 24813734 |
| Adenosylhomocysteinase | IC50 | = | 939.0 | nM | 6.03 | Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine ... | 24813734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732550 | 10.1021/jm00080a018 | Vero | 11 |
| 1732550 | 10.1021/jm00080a018 | HEL | 7 |
| 1732550 | 10.1021/jm00080a018 | PRK | 3 |
| 1732550 | 10.1021/jm00080a018 | HeLa | 3 |
| 1732550 | 10.1021/jm00080a018 | MDCK | 3 |
| 1732550 | 10.1021/jm00080a018 | MT4 | 3 |
| 1732550 | 10.1021/jm00080a018 | Adenosine deaminase | 2 |
| 1732550 | 10.1021/jm00080a018 | ADMET | 2 |
| 1732550 | 10.1021/jm00080a018 | ESM | 2 |
| 24813734 | 10.1016/j.bmcl.2014.04.034 | Adenosylhomocysteinase | 2 |
| 1732550 | 10.1021/jm00080a018 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine