Compound Detail
CHEMBL4112170
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COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C(F)F)c3)c(=O)n(C)n2)nc1
Basic Information
| ChEMBL ID | CHEMBL4112170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLMNAKPYAFREPY-HIFRSBDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
2.57
ALogP
9
HBA
1
HBD
96.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 9.84 | 9.84 | 0.1 | 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 | Ki | = | 0.144 | nM | 9.84 | Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... | - |
Data from ChEMBL 36 via Core Engine