Compound Detail
CHEMBL3691404
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Basic Information
| ChEMBL ID | CHEMBL3691404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTGGZILBTWZLLO-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
2.00
ALogP
9
HBA
0
HBD
90.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL6140 | IC50 | 9.91 | 9.91 | 0.1 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 9.56 | 9.56 | 0.3 | 1 |
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 | = | 0.123 | nM | 9.91 | Scintillation Proximity Assay: The ability of a compound to inhibit PDE10 enzyma... | - |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 0.275 | nM | 9.56 | Scintillation Proximity Assay: The ability of a compound to inhibit PDE10 enzyma... | - |
Data from ChEMBL 36 via Core Engine