Compound Detail
CHEMBL5289502
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Basic Information
| ChEMBL ID | CHEMBL5289502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLDHYFOMQJQJSP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
4.02
ALogP
2
HBA
1
HBD
49.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP deaminase 2 CHEMBL2997 | IC50 | 6.72 | 6.245 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP deaminase 2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of recombinant human AMPD2 using AMP as substrate preincubated for 30... | 36563792 |
| AMP deaminase 2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of recombinant human AMPD2 using AMP as substrate incubated for 30 mi... | 36563792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36563792 | 10.1016/j.bmcl.2022.129110 | AMP deaminase 2 | 3 |
Data from ChEMBL 36 via Core Engine