Compound Detail
CHEMBL329433
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 | CHEMBL329433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUYUIKKHHBEVHL-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
1.15
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 5900.0 | nM | 5.23 | In vitro binding affinity towards human adenosine deaminase (ADA) | 15139750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139750 | 10.1021/jm0499559 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine