Compound Detail
CHEMBL5619434
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Basic Information
| ChEMBL ID | CHEMBL5619434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDDKIBBLWTYDGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.2
MW (Da)
2.50
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase CHEMBL4105728 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of full length his-tagged human recombinant cGAS extracted from Esche... | 39291029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291029 | 10.1021/acsmedchemlett.4c00356 | Cyclic GMP-AMP synthase | 1 |
Data from ChEMBL 36 via Core Engine