Compound Detail
CHEMBL4128456
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COc1ccc(-c2nnc(N3CCC(NC(=O)c4ccc(F)cc4C(F)(F)F)CC3)c(C)c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL4128456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXABUBSPBMMFEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.33
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.48
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21.96 | nM | 7.66 | Inhibition of hedgehog signaling pathway in mouse Light2 cells after 48 hrs by G... | 29739714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29739714 | 10.1016/j.bmc.2018.04.058 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine