Compound Detail
CHEMBL3912685
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Basic Information
| ChEMBL ID | CHEMBL3912685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRGMYWWQQSAYPS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.76
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.75 | 5.75 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1800.0 | nM | 5.75 | Fluorescence Polarization Assay: PDE activity was measured using the IMAP fluore... | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1800.0 | nM | 5.75 | 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 | 1 |
Data from ChEMBL 36 via Core Engine