Compound Detail
CHEMBL3716776
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O=C(O)c1cc(-c2ccc(-c3cn4cccnc4n3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL3716776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHAWBNHWBDXQEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
7.60
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uncharacterized protein CHEMBL3831325 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uncharacterized protein | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-e... | - |
Data from ChEMBL 36 via Core Engine