Compound Detail
CHEMBL393713
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Basic Information
| ChEMBL ID | CHEMBL393713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGAIEYJJQNSIGM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.61
ALogP
6
HBA
0
HBD
54.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 7.5 | 7.5 | 31.9 | 1 |
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 31.9 | nM | 7.5 | Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay | 17035009 |
| dCTP pyrophosphatase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapt... | 28655422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035009 | 10.1016/j.bmcl.2006.09.062 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 28655422 | 10.1016/j.bmcl.2017.06.039 | dCTP pyrophosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine