Compound Detail
CHEMBL3262297
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Basic Information
| ChEMBL ID | CHEMBL3262297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEJYUBWTLOJWNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.81
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.98 | 7.98 | 10.4 | 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 | = | 10.4 | nM | 7.98 | Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substra... | 24725435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24725435 | 10.1016/j.bmcl.2014.03.054 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 2 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | Liver microsome | 2 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 24725435 | 10.1016/j.bmcl.2014.03.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine