Compound Detail
CHEMBL1085374
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Basic Information
| ChEMBL ID | CHEMBL1085374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYHTXPAKFZNNJB-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
1.92
ALogP
7
HBA
1
HBD
98.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 8.15 | 8.145 | 7.0 | 2 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 7.16 | 7.16 | 68.6 | 2 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.25 | 6.25 | 561.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.9 | 5.9 | 1260.0 | 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 | = | 7.0 | nM | 8.15 | Inhibition of recombinant PDE10A1 expressed in baculovirus infected SF21 cells u... | 22834877 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 7.16 | nM | 8.14 | Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system... | 20450197 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 68.6 | nM | 7.16 | Inhibition of PDE11A | 20450197 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 69.0 | nM | 7.16 | Inhibition of PDE11A | 22834877 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 561.0 | nM | 6.25 | Inhibition of PDE5A | 20450197 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of PDE2A | 20450197 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of PDE3A | 20450197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20450197 | 10.1021/jm1002793 | Unchecked | 11 |
| 22834877 | 10.1021/jm3004976 | Unchecked | 9 |
| 20450197 | 10.1021/jm1002793 | Rattus norvegicus | 2 |
| 20450197 | 10.1021/jm1002793 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 20450197 | 10.1021/jm1002793 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 20450197 | 10.1021/jm1002793 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
| 20450197 | 10.1021/jm1002793 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 20450197 | 10.1021/jm1002793 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 20450197 | 10.1021/jm1002793 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 20450197 | 10.1021/jm1002793 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 20450197 | 10.1021/jm1002793 | 3',5'-cyclic-AMP phosphodiesterase 7B | 1 |
| 20450197 | 10.1021/jm1002793 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 20450197 | 10.1021/jm1002793 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 22834877 | 10.1021/jm3004976 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 22834877 | 10.1021/jm3004976 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine