Compound Detail
CHEMBL4084798
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 | CHEMBL4084798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILZZAGGOFGKUGE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.48
ALogP
5
HBA
0
HBD
73.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PANC-1 CHEMBL614139 | IC50 | 4.59 | 4.59 | 25900.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.33 | 4.33 | 47180.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.23 | 4.23 | 58520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PANC-1 | IC50 | = | 25900.0 | nM | 4.59 | Cytotoxicity against human PANC1 cells assessed as decrease in cell viability af... | 29313684 |
| MDA-MB-231 | IC50 | = | 47180.0 | nM | 4.33 | Cytotoxicity against human MDA-MB-231 cells assessed as decrease in cell viabili... | 29313684 |
| MCF7 | IC50 | = | 58520.0 | nM | 4.23 | Cytotoxicity against human MCF7 cells assessed as decrease in cell viability aft... | 29313684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29313684 | 10.1021/acs.jmedchem.7b01176 | MCF7 | 1 |
| 29313684 | 10.1021/acs.jmedchem.7b01176 | MDA-MB-231 | 1 |
| 29313684 | 10.1021/acs.jmedchem.7b01176 | PANC-1 | 1 |
| 29313684 | 10.1021/acs.jmedchem.7b01176 | ELAV-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine