Compound Detail
CHEMBL2070654
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Basic Information
| ChEMBL ID | CHEMBL2070654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTHIWWQIRPIFLQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.41
ALogP
7
HBA
0
HBD
64.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 8.81 | 8.81 | 1.5 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 6.19 | 6.19 | 651.0 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 6.16 | 6.16 | 693.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.54 | 5.54 | 2920.0 | 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 | = | 1.53 | nM | 8.81 | Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis | 22902656 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of PDE2 | 22902656 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 651.0 | nM | 6.19 | Inhibition of PDE5 | 22902656 |
| Phosphodiesterase 6 | IC50 | = | 693.0 | nM | 6.16 | Inhibition of PDE6 | 22902656 |
| Phosphodiesterase 4 | IC50 | = | 2920.0 | nM | 5.54 | Inhibition of PDE4 | 22902656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 3 | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 4 | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 6 | 1 |
Data from ChEMBL 36 via Core Engine