Compound Detail
CHEMBL4285199
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Basic Information
| ChEMBL ID | CHEMBL4285199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJCXRZRYBPCBNM-RDJZCZTQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.84
ALogP
3
HBA
1
HBD
56.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' CHEMBL3977 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.67 | 7.67 | 21.4 | 1 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | IC50 | = | 13.0 | nM | 7.89 | Inhibition of full length recombinant human N-terminal GST-tagged PDE6C expresse... | 30245400 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 21.4 | nM | 7.67 | Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 express... | 30245400 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 155.0 | nM | 6.81 | Inhibition of full length recombinant human N-terminal GST-tagged PDE11A4 expres... | 30245400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | Unchecked | 2 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
Data from ChEMBL 36 via Core Engine