Compound Detail
CHEMBL4213652
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Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL4213652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YESMPPOFBZMNNV-DNGCBJQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
4.10
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 740.0 | nM | 6.13 | 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