Compound Detail
CHEMBL346040
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 | CHEMBL346040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPFKFJNLCPXDDR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
2.95
ALogP
6
HBA
3
HBD
99.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP deaminase 3 CHEMBL2912 | Ki | 8.7 | 8.7 | 2.0 | 2 |
| AMP deaminase 1 CHEMBL2869 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP deaminase 3 | Ki | = | 2.0 | nM | 8.7 | Inhibition of recombinant human E-type adenylate deaminase | 11170651 |
| AMP deaminase 3 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human recombinant AMPD3 | 24900209 |
| AMP deaminase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human skeletal muscle AMPD1 | 24900209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170651 | 10.1021/jm000355t | AMP deaminase 3 | 1 |
| 11170651 | 10.1021/jm000355t | Adenosine deaminase | 1 |
| 24900209 | 10.1021/ml100092a | AMP deaminase 1 | 1 |
| 24900209 | 10.1021/ml100092a | AMP deaminase 3 | 1 |
Data from ChEMBL 36 via Core Engine