Compound Detail
CHEMBL3741950
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Basic Information
| ChEMBL ID | CHEMBL3741950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMWWNYKNAPEPNW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
4.47
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.62 | 7.62 | 23.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.37 | 432.0 | 1 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 6.31 | 6.31 | 494.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.22 | 6.22 | 606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 0.12 | nM | 9.92 | Inhibition of human recombinant PDE10A1 expressed in baculovirus infected insect... | 26562545 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 23.9 | nM | 7.62 | Inhibition of cGMP activated human recombinant PDE2A using [3H]cAMP as substrate... | 26562545 |
| Unchecked | IC50 | = | 432.0 | nM | 6.37 | Inhibition of bovine PDE6 using [3H]cAMP as substrate after 30 mins by scintilla... | 26562545 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 494.0 | nM | 6.31 | Inhibition of human PDE11A using [3H]cAMP as substrate after 30 mins by scintill... | 26562545 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 606.0 | nM | 6.22 | Inhibition of human PDE5A using [3H]cAMP as substrate after 30 mins by scintilla... | 26562545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26562545 | 10.1016/j.ejmech.2015.10.028 | Unchecked | 2 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | 3',5'-cyclic-AMP phosphodiesterase 7B | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 26562545 | 10.1016/j.ejmech.2015.10.028 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
Data from ChEMBL 36 via Core Engine