Compound Detail
CHEMBL2180802
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 | CHEMBL2180802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDFPLDJZLFRXDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.58
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.35 | 10.35 | 0.0 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL6140 | IC50 | 10.35 | 10.35 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.045 | nM | 10.35 | Inhibition of mouse PDE10A7 using fluorescein labeled cAMP and cGMP as substrate... | 22834877 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 0.045 | nM | 10.35 | Enzyme Inhibition Assay: An IMAP TR-FRET assay was used to analyze the enzyme ac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22834877 | 10.1021/jm3004976 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine