Compound Detail
CHEMBL3114248
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Cc1ccc(CN2CCC(=O)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3114248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXSNJIQJTMZHGB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
6.82
ALogP
7
HBA
2
HBD
96.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 0.28 | nM | 9.55 | Inhibition of hedgehog signaling pathway in mouse NIH/3T3 cells by Gli1-lucifera... | 24405704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24405704 | 10.1016/j.bmcl.2013.12.050 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine