Compound Detail
CHEMBL3715966
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O=C(O)c1cc(-c2csc(C(O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL3715966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCZVPEQORVEFIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
7.25
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uncharacterized protein CHEMBL3831325 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uncharacterized protein | IC50 | = | 7.1 | nM | 8.15 | Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-e... | - |
Data from ChEMBL 36 via Core Engine