Compound Detail
CHEMBL1957371
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Basic Information
| ChEMBL ID | CHEMBL1957371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMGJYUYFTZPWPH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.26
ALogP
5
HBA
2
HBD
98.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 5.75 | 5.75 | 1770.0 | 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 | = | 1770.0 | nM | 5.75 | Inhibition of human recombinant full length PDE10A using cAMP as substrate prein... | 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 |
Data from ChEMBL 36 via Core Engine