Compound Detail
CHEMBL8275
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Basic Information
| ChEMBL ID | CHEMBL8275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFKHECGAEJNAMV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-1.56
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2389 | Ki | 7.96 | 7.96 | 11.1 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.24 | 6.205 | 580.0 | 2 |
| L1210 CHEMBL386 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 11.1 | nM | 7.96 | Binding affinity against L929 cells AdoHcy hydrolase activity | 8120872 |
| Homo sapiens | IC50 | = | 580.0 | nM | 6.24 | Inhibitory concentration on human T-lymphocyte Molt(clone 8) cells | 8120872 |
| L1210 | IC50 | = | 630.0 | nM | 6.2 | Inhibitory concentration on murine leukemia L1210/0 cells | 8120872 |
| Homo sapiens | IC50 | = | 680.0 | nM | 6.17 | Inhibitory concentration on human T-lymphocyte CEM/0 cells | 8120872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120872 | 10.1021/jm00030a014 | Homo sapiens | 2 |
| 8120872 | 10.1021/jm00030a014 | L1210 | 1 |
| 8120872 | 10.1021/jm00030a014 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine