Compound Detail
CHEMBL2335126
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Basic Information
| ChEMBL ID | CHEMBL2335126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCYDLUSRDGFADT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
5.03
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.74
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Kd 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.8 | 5.8 | 1566.1 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Kd | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1566.1 | nM | 5.8 | Inhibition of N-terminally truncated human DHODH (Met30 to Arg396 residues) expr... | - |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Kd | = | 2800.0 | nM | 5.55 | Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli ... | 23509991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23509991 | 10.1021/jm301665y | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| - | 10.1039/C6MD00024J | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine