Compound Detail
CHEMBL336735
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 | CHEMBL336735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GENISLGGIWRJOM-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
3.31
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 600.0 | nM | 6.22 | Binding affinity (Ki) at calf intestinal adenosine deaminase. | 1433220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433220 | 10.1021/jm00100a025 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine