Compound Detail
CHEMBL6042821
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CCc1cnc(C2CCC2c2nc3c(c(C#N)nn3[C@@H](C)c3ccc(C(F)(F)F)nc3)c(=O)[nH]2)nc1
Basic Information
| ChEMBL ID | CHEMBL6042821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMABGNBOHHGZNG-JQRITLKVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
4.03
ALogP
8
HBA
1
HBD
126.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535 | Ki | 11.0 | 10.0833 | 0.0 | 3 |
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 | = | 0.01 | nM | 11.0 | Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... | - |
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | Ki | = | 0.01 | nM | 11.0 | 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 | = | 5.6 | nM | 8.25 | Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... | - |
Data from ChEMBL 36 via Core Engine