Compound Detail
CHEMBL5273714
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Basic Information
| ChEMBL ID | CHEMBL5273714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJGGSLDXABLZLP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
1.52
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.55
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 2.8 | nM | 8.55 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition measure... | 31749907 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human recombinant PDE3B | 31749907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31749907 | 10.1021/acsmedchemlett.9b00360 | ADMET | 6 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | A498 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HeLa | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
Data from ChEMBL 36 via Core Engine