Compound Detail
CHEMBL373102
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Basic Information
| ChEMBL ID | CHEMBL373102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVDQYPSFEUUGDN-QGZVFWFLSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
3.66
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human phosphodiesterase 5 | 15837326 |
| Phosphodiesterase 6 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human phosphodiesterase 6 | 15837326 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human phosphodiesterase 11 | 15837326 |
| Phosphodiesterase 4 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human phosphodiesterase 4 | 15837326 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory concentration against human phosphodiesterase 10 | 15837326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837326 | 10.1016/j.bmcl.2005.02.083 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Unchecked | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase, PDE1/PDE5 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterases; PDE5 & PDE6 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase 1 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase 3 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase 4 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase 6 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase 7 | 1 |
Data from ChEMBL 36 via Core Engine