Compound Detail
CHEMBL3763456
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Basic Information
| ChEMBL ID | CHEMBL3763456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSEOWXHNKGQICS-RBUKOAKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.56
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.2 | 9.2 | 0.6 | 1 |
| Class 1 phosphodiesterase PDEB1 CHEMBL2010636 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.631 | nM | 9.2 | Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate ... | 26935942 |
| Class 1 phosphodiesterase PDEB1 | IC50 | = | 316.23 | nM | 6.5 | Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate ... | 26935942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26935942 | 10.1016/j.bmc.2016.02.032 | Class 1 phosphodiesterase PDEB1 | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine