Compound Detail
CHEMBL560356
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Basic Information
| ChEMBL ID | CHEMBL560356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CECXAXJMMNBDRN-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.35
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Zinc finger protein GLI2 CHEMBL5119 | IC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of exogenously transfected human Gli1-mediated transcriptional activi... | 19545120 |
| Zinc finger protein GLI2 | IC50 | = | 29400.0 | nM | 4.53 | Inhibition of exogenously transfected human Gli2 delta-N-mediated transcriptiona... | 19545120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19545120 | 10.1021/jm900106f | NON-PROTEIN TARGET | 2 |
| 19545120 | 10.1021/jm900106f | BJ | 1 |
| 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 | Zinc finger protein GLI1 | 1 |
| 19545120 | 10.1021/jm900106f | Zinc finger protein GLI2 | 1 |
| 19545120 | 10.1021/jm900106f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine