Compound Detail
CHEMBL3654377
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COc1ccc(COc2nc(N3CCC4(CC4)C3)ncc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3654377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXEZZMYEXDEVQT-IYARVYRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.0
MW (Da)
3.74
ALogP
7
HBA
2
HBD
96.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 4.079 | nM | 8.39 | Caliper Mobility-Shift Assay: A sample to be tested is precisely weighed, dissol... | - |
Data from ChEMBL 36 via Core Engine