Compound Detail
CHEMBL3235902
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3235902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSWBIEMETBPYGH-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.54
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.27
Kd 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fascin CHEMBL4523304 | IC50 | 6.27 | 6.27 | 539.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 539.0 | 1 |
| Keap1/Nrf2 CHEMBL3038498 | Kd | 5.44 | 5.44 | 3600.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fascin | IC50 | = | 539.0 | nM | 6.27 | Inhibition of GST-tagged recombinant human fascin 1 expressed in Escherichia col... | - |
| Fascin | IC50 | = | 539.0 | nM | 6.27 | Chemical Library Screens and Analysis: About 150,000 compounds were screened. Th... | - |
| Unchecked | IC50 | = | 539.0 | nM | 6.27 | High Throughput Inhibition Assay: A high throughput assay was developed to scree... | - |
| Keap1/Nrf2 | Kd | = | 3600.0 | nM | 5.44 | Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equ... | 24417449 |
| 4T1 | IC50 | = | 16000.0 | nM | 4.8 | Antimigratory activity against mouse 4T1 cells assessed as inhibition of cell mi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24417449 | 10.1021/jm4017174 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine