Compound Detail
CHEMBL2205223
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 | CHEMBL2205223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATHSXSQIUYVOGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
543.5
MW (Da)
5.57
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 6.0 | 6.0 | 991.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 991.0 | nM | 6.0 | Inhibition of PDE10A | 22892116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22892116 | 10.1016/j.bmcl.2012.07.072 | ATP-dependent translocase ABCB1 | 2 |
| 22892116 | 10.1016/j.bmcl.2012.07.072 | No relevant target | 1 |
| 22892116 | 10.1016/j.bmcl.2012.07.072 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine