Compound Detail
CHEMBL2205221
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Basic Information
| ChEMBL ID | CHEMBL2205221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYZJDHPVSZXKSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.20
ALogP
6
HBA
1
HBD
87.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 7.03 | 7.03 | 94.0 | 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 | = | 94.0 | nM | 7.03 | 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