Compound Detail
CHEMBL1957380
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Basic Information
| ChEMBL ID | CHEMBL1957380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSQMPZIBIWKOFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.94
ALogP
5
HBA
1
HBD
82.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.24 | 5.24 | 5700.0 | 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 | IC50 | = | 97.0 | nM | 7.01 | Inhibition of human recombinant full length PDE10A using cAMP as substrate prein... | 22321214 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of human recombinant DHODH transmembrane domain using 2,6-dichloroind... | 22321214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22321214 | 10.1016/j.bmcl.2012.01.046 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 22321214 | 10.1016/j.bmcl.2012.01.046 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22321214 | 10.1016/j.bmcl.2012.01.046 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine