Compound Detail
CHEMBL1957366
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Basic Information
| ChEMBL ID | CHEMBL1957366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHBHGRJDLFMVBX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
5.44
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.16 | 5.16 | 7000.0 | 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 | = | 1.0 | nM | 9.0 | Inhibition of human recombinant full length PDE10A using cAMP as substrate prein... | 22321214 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant DHODH transmembrane domain using 2,6-dichloroind... | 22321214 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant full length PDE2A3 using cAMP as substrate prein... | 22321214 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human recombinant PDE4B catalytic domain using cAMP as substrate p... | 22321214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 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 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 22321214 | 10.1016/j.bmcl.2012.01.046 | Phosphodiesterase 3 | 1 |
| 22321214 | 10.1016/j.bmcl.2012.01.046 | 3',5'-cyclic-AMP phosphodiesterase 4B | 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