Compound Detail
CHEMBL26801
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Basic Information
| ChEMBL ID | CHEMBL26801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKNNLGAIRDUJOQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
-1.92
ALogP
9
HBA
4
HBD
143.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 22000.0 | nM | 4.66 | Binding affinity against S-adenosyl-homocysteine hydrolase | 3981539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6481772 | 10.1021/jm00376a025 | Mus musculus | 10 |
| 3981539 | 10.1021/jm00382a015 | Adenosylhomocysteinase | 2 |
| 3981539 | 10.1021/jm00382a015 | L cells | 2 |
| 1433208 | 10.1021/jm00100a003 | P388 | 1 |
| 3981539 | 10.1021/jm00382a015 | L929 | 1 |
Data from ChEMBL 36 via Core Engine