Compound Detail
CHEMBL339210
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C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3ccsc3)C(=O)CCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL339210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUIPNSQQJJVSFR-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.94
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 10.17 | 10.17 | 0.1 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 0.068 | nM | 10.17 | Inhibitory concentration required to inhibit human phosphodiesterase 3B expresse... | 14592490 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 0.11 | nM | 9.96 | Inhibitory concentration required to inhibit human phosphodiesterase 3A expresse... | 14592490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592490 | 10.1016/j.bmcl.2003.08.056 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 14592490 | 10.1016/j.bmcl.2003.08.056 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
Data from ChEMBL 36 via Core Engine