Compound Detail
CHEMBL2419366
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Basic Information
| ChEMBL ID | CHEMBL2419366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGWIFPSXBHUWBP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.48
ALogP
4
HBA
1
HBD
71.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.62 | 7.62 | 24.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.67 | mL.min-1.kg-1 | 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 | = | 24.0 | nM | 7.62 | Inhibition of PDE10A (unknown origin) | 23978358 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 24.0 | nM | 7.62 | Inhibition of PDE10A (unknown origin) | 26113188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23978358 | 10.1016/j.bmc.2013.07.030 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| 26113188 | 10.1016/j.bmc.2015.06.019 | Liver microsome | 1 |
| 26113188 | 10.1016/j.bmc.2015.06.019 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine