Compound Detail
CHEMBL5810180
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C[C@@H](c1cnc(C2CC2)nc1)n1nc(C#N)c2c(=O)[nH]c([C@@H]3CC[C@H]3c3ncccn3)nc21
Basic Information
| ChEMBL ID | CHEMBL5810180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEPNMKDMRNRDPJ-APHBMKBZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
2.72
ALogP
9
HBA
1
HBD
138.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535 | Ki | 10.52 | 9.705 | 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 | = | 0.03 | nM | 10.52 | 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 | = | 1.3 | nM | 8.89 | Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... | - |
Data from ChEMBL 36 via Core Engine