Compound Detail
CHEMBL3965079
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Basic Information
| ChEMBL ID | CHEMBL3965079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJSWJWIRIXUTEM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.05
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.85
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.08 | 5.08 | 8400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 8400.0 | nM | 5.08 | Fluorescence Polarization Assay: PDE activity was measured using the IMAP fluore... | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) express... | 33793216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33793216 | 10.1021/acs.jmedchem.0c01120 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 33793216 | 10.1021/acs.jmedchem.0c01120 | Prostaglandin G/H synthase 1 | 1 |
| 33793216 | 10.1021/acs.jmedchem.0c01120 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine