Compound Detail
CHEMBL1916129
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Basic Information
| ChEMBL ID | CHEMBL1916129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHLLRTLCOXWEIS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
10
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
4.48
ALogP
6
HBA
0
HBD
61.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4400.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12738.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 83.0 | % | Rattus norvegicus |
| F | 84.0 | % | Canis lupus familiaris |
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| T1/2 | 3.0 | hr | Canis lupus familiaris |
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 | = | 0.06 | nM | 10.22 | Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli u... | 21988093 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 71.0 | nM | 7.15 | 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 | 10 |
| 21988093 | 10.1021/jm2009138 | Rattus norvegicus | 8 |
| 21988093 | 10.1021/jm2009138 | Canis familiaris | 4 |
| 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 |
| 21988093 | 10.1021/jm2009138 | Brain | 1 |
| 21988093 | 10.1021/jm2009138 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine