Compound Detail
CHEMBL280595
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Basic Information
| ChEMBL ID | CHEMBL280595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYBXRVWOQQROQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
-0.16
ALogP
8
HBA
1
HBD
113.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Adenosine deaminase CHEMBL2966 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 0.5 | nM | 9.3 | Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase. | - |
| Adenosine deaminase | Ki | = | 4000.0 | nM | 5.4 | Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffe... | 7401106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00234-X | Adenosylhomocysteinase | 1 |
| - | 10.1016/0960-894X(96)00234-X | Vero | 1 |
| - | 10.1016/0960-894X(96)00234-X | L929 | 1 |
| 7401106 | 10.1021/jm00181a017 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine