Compound Detail
CHEMBL193059
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Basic Information
| ChEMBL ID | CHEMBL193059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHTTWVRMGWQEOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.50
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human recombinant PDE5A1 expressed in COS7 cells | 18778098 |
| Unchecked | IC50 | = | 4380.0 | nM | 5.36 | Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop... | 26351039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828817 | 10.1021/jm040770b | HT-29 | 3 |
| 18778098 | 10.1021/np800049y | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 26351039 | 10.1016/j.bmcl.2015.08.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine