Compound Detail
CHEMBL1916103
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1916103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLDDMTIJXUXGIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
4.52
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.45 | hr | Homo sapiens |
| T1/2 | 0.2333 | 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 | = | 11.0 | nM | 7.96 | Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli u... | 21988093 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 14.0 | nM | 7.85 | 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