Compound Detail
CHEMBL4125930
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Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)c4ccc(F)cc4C(F)(F)F)C3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4125930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVGLHHHLNDUNSE-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
5.77
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.94 | 8.94 | 1.2 | 1 |
| Medulloblastoma cell CHEMBL4296520 | IC50 | 7.7 | 7.7 | 20.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.16 | nM | 8.94 | Inhibition of hedgehog signaling pathway in mouse NIH/3T3 Light2 cells by Gli-lu... | 28688278 |
| Medulloblastoma cell | IC50 | = | 20.1 | nM | 7.7 | Antiproliferative activity against Ptch+/- and p53-/- mouse medulloblastoma cell... | 28688278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28688278 | 10.1016/j.ejmech.2017.06.031 | Medulloblastoma cell | 1 |
| 28688278 | 10.1016/j.ejmech.2017.06.031 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine