Compound Detail
CHEMBL3290655
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Basic Information
| ChEMBL ID | CHEMBL3290655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDPMZSDKPBCVSY-XAHCXIQSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.2
MW (Da)
-0.40
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 7.01 | 6.34 | 98.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 98.0 | nM | 7.01 | Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine ... | 24813734 |
| Adenosylhomocysteinase | IC50 | = | 2124.0 | nM | 5.67 | 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 | 2 |
Data from ChEMBL 36 via Core Engine