Compound Detail
CHEMBL3319207
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Basic Information
| ChEMBL ID | CHEMBL3319207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRMLYEPTQBRISE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
8
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.27
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.93
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.93 | 6.93 | 117.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3175.49 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3103.41 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 10.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 119.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 50.0 | mL.min-1.g-1 | Homo sapiens |
| F | 22.0 | % | Rattus norvegicus |
| T1/2 | 3.99 | hr | Rattus norvegicus |
| T1/2 | 4.26 | 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 | = | 0.8 | nM | 9.1 | Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 ... | 25062128 |
| Rattus norvegicus | EC50 | = | 117.0 | nM | 6.93 | 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 | Liver microsome | 2 |
| 25062128 | 10.1021/jm500713j | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine