Compound Detail
CHEMBL570417
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Basic Information
| ChEMBL ID | CHEMBL570417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISTRBVPLLRSCKS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
5.55
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.98 | 5.965 | 1038.0 | 2 |
| TCF4/beta-catenin CHEMBL3038511 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1038.0 | nM | 5.98 | Growth inhibition of human Tcf 33.13 cells transiently transfected with pGL3-Tcf... | 20025292 |
| NON-PROTEIN TARGET | IC50 | = | 1120.0 | nM | 5.95 | Growth inhibition of human Tcf22C11 cells transiently transfected with pGL3-Tcf4... | 20025292 |
| TCF4/beta-catenin | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20025292 | 10.1021/jm901370m | NON-PROTEIN TARGET | 3 |
| 20025292 | 10.1021/jm901370m | No relevant target | 1 |
| 20025292 | 10.1021/jm901370m | Liver microsomes | 1 |
| 20025292 | 10.1021/jm901370m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine