Compound Detail
CHEMBL2205203
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Basic Information
| ChEMBL ID | CHEMBL2205203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNSNONPSWODZFE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.16
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 7.85 | 7.85 | 14.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 14.0 | nM | 7.85 | Inhibition of PDE10A | 22892116 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 14.0 | nM | 7.85 | Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22892116 | 10.1016/j.bmcl.2012.07.072 | Rattus norvegicus | 1 |
| 22892116 | 10.1016/j.bmcl.2012.07.072 | No relevant target | 1 |
| 22892116 | 10.1016/j.bmcl.2012.07.072 | ATP-dependent translocase ABCB1 | 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