Compound Detail
CHEMBL2070632
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Basic Information
| ChEMBL ID | CHEMBL2070632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPLZXBUKXSYWDQ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
360.2
MW (Da)
3.96
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.69 | 8.69 | 2.1 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.28 | 7.28 | 53.1 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 6.08 | 6.08 | 829.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.36 | 5.36 | 4410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 2.06 | nM | 8.69 | Inhibition of PDE2 | 22902656 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 53.1 | nM | 7.28 | Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis | 22902656 |
| Phosphodiesterase 3 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of PDE3 | 22902656 |
| Phosphodiesterase 6 | IC50 | = | 829.0 | nM | 6.08 | Inhibition of PDE6 | 22902656 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of PDE5 | 22902656 |
| Phosphodiesterase 4 | IC50 | = | 4410.0 | nM | 5.36 | 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