Compound Detail
CHEMBL5179510
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Basic Information
| ChEMBL ID | CHEMBL5179510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBMQTQKDSJIHLY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
3.01
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase CHEMBL4523383 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Cyclic GMP-AMP synthase CHEMBL4105728 | IC50 | 5.98 | 5.83 | 1040.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase | IC50 | = | 440.0 | nM | 6.36 | Inhibition of mouse cGAS | 35635952 |
| Cyclic GMP-AMP synthase | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of human (His6)-SUMO tagged cGAS expressed in Escherichia coli BL21-c... | 35635952 |
| Cyclic GMP-AMP synthase | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of human cGAS | 35635952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35635952 | 10.1016/j.ejmech.2022.114480 | Cyclic GMP-AMP synthase | 3 |
Data from ChEMBL 36 via Core Engine