Compound Detail
CHEMBL4567157
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 | CHEMBL4567157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIQXILLOJLATEF-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
415.2
MW (Da)
4.33
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Kd 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase CHEMBL4523383 | Kd | 7.44 | 7.44 | 36.0 | 1 |
| Cyclic GMP-AMP synthase CHEMBL4105728 | IC50 | 6.96 | 5.6567 | 110.0 | 3 |
| Cyclic GMP-AMP synthase CHEMBL4523383 | IC50 | 6.96 | 6.315 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic GMP-AMP synthase | Kd | = | 36.0 | nM | 7.44 | Binding affinity to mouse CGAS in presence of dsDNA by isothermal titration calo... | 32206239 |
| Cyclic GMP-AMP synthase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mouse cGAS | 34044539 |
| Cyclic GMP-AMP synthase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of cGAS (unknown origin) | 35635952 |
| Cyclic GMP-AMP synthase | IC50 | = | 2120.0 | nM | 5.67 | Inhibition of mouse cGAS expressed in RAW-Lucia ISG transfected with HT-DNA asse... | 34044539 |
| Cyclic GMP-AMP synthase | IC50 | = | 2940.0 | nM | 5.53 | Inhibition of human cGAS | 34044539 |
| Cyclic GMP-AMP synthase | IC50 | = | 32900.0 | nM | 4.48 | Inhibition of human cGAS expressed in THP1-Dual cells transfected with HT-DNA as... | 34044539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| 34044539 | 10.1021/acs.jmedchem.1c00398 | Cyclic GMP-AMP synthase | 4 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| 32206239 | 10.1039/C8MD00555A | Cyclic GMP-AMP synthase | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 1 |
| 35635952 | 10.1016/j.ejmech.2022.114480 | Cyclic GMP-AMP synthase | 1 |
| 34044539 | 10.1021/acs.jmedchem.1c00398 | Unchecked | 1 |
| 34044539 | 10.1021/acs.jmedchem.1c00398 | THP1-Dual | 1 |
Data from ChEMBL 36 via Core Engine