Compound Detail
CHEMBL5987640
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CC(C)(O)[C@@H](NC(=O)c1cnn2ccc(-n3cccn3)nc12)c1ccc(OC(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL5987640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEJGDDYSEQHCLS-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
3.06
ALogP
8
HBA
2
HBD
106.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 5.4 | nM | 8.27 | Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... | - |
Data from ChEMBL 36 via Core Engine