Compound Detail
CHEMBL1683806
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1683806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMRCFPLZZLTWKE-FYJGNVAPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
2.93
ALogP
4
HBA
2
HBD
87.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
EC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3H 10T1/2 CHEMBL614531 | EC50 | 8.05 | 8.05 | 8.9 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 7.05 | 7.05 | 88.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3H 10T1/2 | EC50 | = | 8.9 | nM | 8.05 | Induction of lipolysis in mouse C3H10T1/2 assessed as glycerol concentration | 21330134 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 14.8 | nM | 7.83 | Inhibition of human recombinant PDE3A | 21330134 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 88.4 | nM | 7.05 | Inhibition of human recombinant PDE3B | 21330134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21330134 | 10.1016/j.bmcl.2011.01.120 | Unchecked | 5 |
| 21330134 | 10.1016/j.bmcl.2011.01.120 | C3H 10T1/2 | 2 |
| 21330134 | 10.1016/j.bmcl.2011.01.120 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 21330134 | 10.1016/j.bmcl.2011.01.120 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 21330134 | 10.1016/j.bmcl.2011.01.120 | Adipocyte | 1 |
Data from ChEMBL 36 via Core Engine