Compound Detail
CHEMBL1255721
METHYL BROMOMETHYL ACRYLATE 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 | CHEMBL1255721 |
| Name | METHYL BROMOMETHYL ACRYLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFTUQSLVERGMHL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
179.0
MW (Da)
1.11
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.91 | 4.91 | 12260.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.65 | 4.65 | 22380.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.41 | 4.41 | 39320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human recombinant Trx1/TrxR assessed as reduction in number of fre... | 22128876 |
| MIA PaCa-2 | IC50 | = | 12260.0 | nM | 4.91 | Antiproliferative activity against human MIAPaCa2 cells after 72 hrs by MTT assa... | 28129978 |
| 4T1 | IC50 | = | 22380.0 | nM | 4.65 | Antiproliferative activity against mouse 4T1 cells after 72 hrs by MTT assay | 28129978 |
| MDA-MB-231 | IC50 | = | 39320.0 | nM | 4.41 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 28129978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20729083 | 10.1016/j.bmcl.2010.07.139 | Unchecked | 3 |
| 20729083 | 10.1016/j.bmcl.2010.07.139 | Escherichia coli | 2 |
| 22128876 | 10.1021/jm201359d | NON-PROTEIN TARGET | 1 |
| 22128876 | 10.1021/jm201359d | EMT6 | 1 |
| 22128876 | 10.1021/jm201359d | Unchecked | 1 |
| 26561365 | 10.1016/j.bmcl.2015.10.061 | MDA-MB-231 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | MDA-MB-231 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | MIA PaCa-2 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | 4T1 | 1 |
Data from ChEMBL 36 via Core Engine