Compound Detail
CHEMBL3319209
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Basic Information
| ChEMBL ID | CHEMBL3319209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNPDAYJZIRPRFQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
20
PK Parameters
16
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.10
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
EC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 10.0 | 9.87 | 0.1 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.15 | 6.15 | 711.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1059.58 | ng.hr.mL-1 | Not specified |
| AUC | 1505.48 | ng.hr.mL-1 | Not specified |
| AUC | 7461.18 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 6048.41 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 8741.5 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3668.78 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 5.667 | mL.min-1.kg-1 | Not specified |
| CL | 1.233 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 9.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 41.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.g-1 | Homo sapiens |
| F | 71.0 | % | Not specified |
| F | 72.0 | % | Canis lupus familiaris |
| F | 49.0 | % | Rattus norvegicus |
| T1/2 | 2.48 | hr | Not specified |
| T1/2 | 1.09 | hr | Not specified |
| T1/2 | 11.0 | hr | Canis lupus familiaris |
| T1/2 | 6.89 | hr | Canis lupus familiaris |
| T1/2 | 3.35 | hr | Rattus norvegicus |
| T1/2 | 3.16 | 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 | = | 0.1 | nM | 10.0 | Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 ... | 25062128 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 0.18 | nM | 9.74 | Inhibition of PDE10A (unknown origin) | 34042442 |
| Rattus norvegicus | EC50 | = | 711.0 | nM | 6.15 | Target occupancy of PDE10A in Sprague-Dawley rat striatum measured 1 hr post dos... | 25062128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062128 | 10.1021/jm500713j | Rattus norvegicus | 12 |
| 25062128 | 10.1021/jm500713j | ADMET | 7 |
| 25062128 | 10.1021/jm500713j | Canis familiaris | 7 |
| 25062128 | 10.1021/jm500713j | Liver microsome | 2 |
| 25062128 | 10.1021/jm500713j | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 25062128 | 10.1021/jm500713j | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 8 | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 7 | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 6 | 1 |
| 25062128 | 10.1021/jm500713j | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 4 | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 3 | 1 |
| 25062128 | 10.1021/jm500713j | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 25062128 | 10.1021/jm500713j | Phosphodiesterase 1 | 1 |
| 25062128 | 10.1021/jm500713j | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 34042442 | 10.1021/acs.jmedchem.1c00115 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine