Compound Detail
CHEMBL3218780
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Basic Information
| ChEMBL ID | CHEMBL3218780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHCROVKYMVBOKC-NWZZVCMHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
-2.21
ALogP
9
HBA
5
HBD
132.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 6.12 | 5.51 | 760.0 | 2 |
| Cytidine deaminase CHEMBL2110 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 760.0 | nM | 6.12 | Inhibition of calf duodenum adenosine deaminase | - |
| Cytidine deaminase | Ki | = | 10000.0 | nM | 5.0 | Compound was tested for the inhibitory constant for mouse kidney cytidine deamin... | 3735306 |
| Adenosine deaminase | Ki | = | 12500.0 | nM | 4.9 | Inhibition of calf duodenum adenosine deaminase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00134E | Adenosine deaminase | 2 |
| 3735306 | 10.1021/jm00158a009 | Cytidine deaminase | 1 |
Data from ChEMBL 36 via Core Engine