Compound Detail
CHEMBL5792042
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Cc1ccnc([C@@H]2CC[C@H]2c2nc3c(c(C#N)nn3[C@@H](C)c3ccc(C(F)(F)F)nc3)c(=O)[nH]2)n1
Basic Information
| ChEMBL ID | CHEMBL5792042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNHVCZNICIGKBT-NWANDNLSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
3.77
ALogP
8
HBA
1
HBD
126.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535 | Ki | 10.4 | 8.915 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | Ki | = | 0.04 | nM | 10.4 | Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... | - |
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | Ki | = | 36.7 | nM | 7.43 | Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... | - |
Data from ChEMBL 36 via Core Engine