Compound Detail
CHEMBL416541
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Basic Information
| ChEMBL ID | CHEMBL416541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMEDQEVTXOFIQD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.57
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A CHEMBL3774 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 8.0 | nM | 8.1 | Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiest... | 9990447 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | IC50 | = | 25.0 | nM | 7.6 | Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiest... | 9990447 |
| Phosphodiesterase 3 | IC50 | = | 28000.0 | nM | 4.55 | Optimum inhibitory concentration required to inhibit cGMP specific phosphodieste... | 9990447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9990447 | 10.1016/s0960-894x(98)00681-7 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
| 9990447 | 10.1016/s0960-894x(98)00681-7 | Phosphodiesterase 3 | 1 |
| 9990447 | 10.1016/s0960-894x(98)00681-7 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine