Compound Detail
CHEMBL612157
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL612157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDHXBTRAVMKHBY-QEWWJOJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.7
MW (Da)
-0.50
ALogP
9
HBA
5
HBD
132.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 6900.0 | nM | 5.16 | Compound was tested for the inhibition of Adenosine deaminase from calf intestin... | 2066996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2066996 | 10.1021/jm00111a044 | P388 | 1 |
| 2066996 | 10.1021/jm00111a044 | L1210 | 1 |
| 2066996 | 10.1021/jm00111a044 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine