Compound Detail
CHEMBL1916096
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Basic Information
| ChEMBL ID | CHEMBL1916096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGISDXJWSURSPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.97
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.86 | 7.86 | 13.9 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 0.4333 | hr | Rattus norvegicus |
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 | = | 13.9 | nM | 7.86 | Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli u... | 21988093 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 116.0 | nM | 6.94 | Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation... | 21988093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21988093 | 10.1021/jm2009138 | Unchecked | 9 |
| 21988093 | 10.1021/jm2009138 | ADMET | 3 |
| 21988093 | 10.1021/jm2009138 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 21988093 | 10.1021/jm2009138 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine