Compound Detail
CHEMBL35524
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Basic Information
| ChEMBL ID | CHEMBL35524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDZNCVGWUGOBIF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.31
ALogP
6
HBA
3
HBD
99.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP deaminase 3 CHEMBL2912 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.29 | 6.29 | 510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP deaminase 3 | Ki | = | 500.0 | nM | 6.3 | Inhibition of recombinant human E-type adenylate deaminase | 11170651 |
| Unchecked | Ki | = | 510.0 | nM | 6.29 | Inhibitory activity against porcine heart Adenylate deaminase (AMPDA) | 10780907 |
| Unchecked | Ki | = | 510.0 | nM | 6.29 | Inhibition of porcine heart AMPD3 | 24900209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780907 | 10.1021/jm990448e | Unchecked | 1 |
| 10780907 | 10.1021/jm990448e | Adenosine deaminase | 1 |
| 11170651 | 10.1021/jm000355t | AMP deaminase 3 | 1 |
| 24900209 | 10.1021/ml100092a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine