Compound Detail
CHEMBL4094178
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 | CHEMBL4094178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBDWKRWZSBEXHS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.19
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 3 CHEMBL2378 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human full length GST-tagged CDC25C expressed in Esche... | 28431339 |
| M-phase inducer phosphatase 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of recombinant human full length GST-tagged CDC25A expressed in Esche... | 28431339 |
| MCF7 | IC50 | = | 82000.0 | nM | 4.09 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability af... | 28431339 |
| Unchecked | IC50 | = | 98000.0 | nM | 4.01 | Cytotoxicity against human U373n cells assessed as reduction in cell viability a... | 28431339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28431339 | 10.1016/j.ejmech.2017.04.012 | M-phase inducer phosphatase 1 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | M-phase inducer phosphatase 3 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | A549 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | MCF7 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | PC-3 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | Unchecked | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | Hs 683 | 1 |
| 28431339 | 10.1016/j.ejmech.2017.04.012 | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine