Compound Detail
CHEMBL94931
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Basic Information
| ChEMBL ID | CHEMBL94931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMQKKWOFCLIRPN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
3.96
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human platelet phosphodiesterase 2 | 15125945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125945 | 10.1016/j.bmcl.2004.03.043 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 2 |
Data from ChEMBL 36 via Core Engine