Compound Detail
CHEMBL551292
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C[C@H](C(=O)N(CCc1ccc(O)cc1)CCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL551292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDCGSVKRGOJGBT-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.75
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Zinc finger protein GLI2 CHEMBL5119 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of exogenously transfected human Gli1-mediated transcriptional activi... | 19545120 |
| Zinc finger protein GLI2 | IC50 | = | 20500.0 | nM | 4.69 | Inhibition of exogenously transfected human Gli2 delta-N-mediated transcriptiona... | 19545120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19545120 | 10.1021/jm900106f | Zinc finger protein GLI1 | 3 |
| 19545120 | 10.1021/jm900106f | NON-PROTEIN TARGET | 2 |
| 19545120 | 10.1021/jm900106f | HepG2 | 1 |
| 19545120 | 10.1021/jm900106f | Raji | 1 |
| 19545120 | 10.1021/jm900106f | DU-145 | 1 |
| 19545120 | 10.1021/jm900106f | Daoy | 1 |
| 19545120 | 10.1021/jm900106f | MDA-MB-231 | 1 |
| 19545120 | 10.1021/jm900106f | BJ | 1 |
| 19545120 | 10.1021/jm900106f | Zinc finger protein GLI2 | 1 |
| 19545120 | 10.1021/jm900106f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine