Compound Detail
CHEMBL290339
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Basic Information
| ChEMBL ID | CHEMBL290339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEIRTXFZIOCKDF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
1.17
ALogP
5
HBA
2
HBD
62.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
| AMP deaminase 2 CHEMBL2997 | Ki | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 17000.0 | nM | 4.77 | Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA) | 10780906 |
| AMP deaminase 2 | Ki | = | 84000.0 | nM | 4.08 | Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monop... | 10780906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780906 | 10.1021/jm990447m | AMP deaminase 2 | 1 |
| 10780906 | 10.1021/jm990447m | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine