Compound Detail
CHEMBL4539339
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 | CHEMBL4539339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWZLZBKCXMSEEQ-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.3
MW (Da)
4.31
ALogP
6
HBA
1
HBD
102.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fascin CHEMBL4523304 | IC50 | 6.19 | 6.19 | 652.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.19 | 652.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fascin | IC50 | = | 652.0 | nM | 6.19 | Inhibition of GST-tagged recombinant human fascin 1 expressed in Escherichia col... | - |
| Fascin | IC50 | = | 652.0 | nM | 6.19 | Chemical Library Screens and Analysis: About 150,000 compounds were screened. Th... | - |
| Unchecked | IC50 | = | 652.0 | nM | 6.19 | High Throughput Inhibition Assay: A high throughput assay was developed to scree... | - |
| 4T1 | IC50 | = | 20000.0 | nM | 4.7 | Antimigratory activity against mouse 4T1 cells assessed as inhibition of cell mi... | - |
| MDA-MB-231 | IC50 | = | 25000.0 | nM | 4.6 | Antimigratory activity against human MDA-MB-231 cells assessed as inhibition of ... | - |
| DU-145 | IC50 | = | 25000.0 | nM | 4.6 | Antimigratory activity against human DU145 cells assessed as inhibition of cell ... | - |
| PC-3 | IC50 | = | 25000.0 | nM | 4.6 | Antimigratory activity against human PC3 cells assessed as inhibition of cell mi... | - |
| Lewis lung carcinoma cell line | IC50 | = | 25000.0 | nM | 4.6 | Antimigratory activity against mouse LLC cells assessed as inhibition of cell mi... | - |
Data from ChEMBL 36 via Core Engine