Compound Detail
CHEMBL3092564
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Basic Information
| ChEMBL ID | CHEMBL3092564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJXNSOUJIBXHQS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.43
ALogP
5
HBA
2
HBD
67.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase CHEMBL3091263 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 8.89 | 8.89 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase | IC50 | = | 0.1 | nM | 10.0 | Inhibition of rhesus monkey brain PDE2A3 using FAM-labeled cAMP as substrate aft... | 24189054 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 1.3 | nM | 8.89 | Inhibition Assay: The activity of the compounds in accordance with the present i... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 1.3 | nM | 8.89 | Inhibition Assay: The activity of the compounds in accordance with the present i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24189054 | 10.1016/j.bmcl.2013.10.014 | GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine