Compound Detail
CHEMBL4212765
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N#Cc1ccccc1COC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4212765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYXUJDKWALSCJL-DMVWFOPNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.8
MW (Da)
1.75
ALogP
9
HBA
2
HBD
132.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 620.0 | nM | 6.21 | Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) exp... | 29174506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29174506 | 10.1016/j.bmc.2017.11.022 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 2 |
Data from ChEMBL 36 via Core Engine