Compound Detail
CHEMBL5920732
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COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(O)C(F)(F)F)nc2)nc1
Basic Information
| ChEMBL ID | CHEMBL5920732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONTGSCMTNJSJGN-LUMABBESSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
4.03
ALogP
7
HBA
1
HBD
90.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 9.82 | 9.555 | 0.1 | 2 |
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 | Ki | = | 0.15 | nM | 9.82 | Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... | - |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 0.51 | nM | 9.29 | Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... | - |
Data from ChEMBL 36 via Core Engine