Compound Detail
CHEMBL2304162
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Basic Information
| ChEMBL ID | CHEMBL2304162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHRKITOGRLSBJD-VVXQKDJTSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
-0.93
ALogP
9
HBA
2
HBD
133.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.7 | 4.66 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 20000.0 | nM | 4.7 | Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer... | 7401106 |
| Adenosine deaminase | Ki | = | 24000.0 | nM | 4.62 | Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer... | 7401106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7401106 | 10.1021/jm00181a017 | Adenosine deaminase | 4 |
| 6965728 | 10.1021/jm00175a008 | Bos taurus | 2 |
| 6965728 | 10.1021/jm00175a008 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine