Compound Detail
CHEMBL244006
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 | CHEMBL244006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYXUYEVJHZHFRD-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.90
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.41 | 6.405 | 390.0 | 2 |
| A-375 CHEMBL613859 | IC50 | 6.02 | 6.01 | 960.0 | 2 |
| HEp-2 CHEMBL614735 | IC50 | 5.78 | 5.775 | 1670.0 | 2 |
| PBMC CHEMBL613107 | IC50 | 4.22 | 4.22 | 59600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 390.0 | nM | 6.41 | Cytotoxicity against mouse EAC cells after 24 hrs by MTT assay | 17400463 |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against mouse EAC cells | 20615584 |
| A-375 | IC50 | = | 960.0 | nM | 6.02 | Cytotoxicity against human A375 cells after 24 hrs by MTT assay | 17400463 |
| A-375 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human A375 cells | 20615584 |
| HEp-2 | IC50 | = | 1670.0 | nM | 5.78 | Cytotoxicity against human Hep2 cells after 24 hrs by MTT assay | 17400463 |
| HEp-2 | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human Hep2 cells | 20615584 |
| PBMC | IC50 | = | 59620.0 | nM | 4.22 | Cytotoxicity against human PBMCs after 24 hrs by MTT assay | 17400463 |
| PBMC | IC50 | = | 59600.0 | nM | 4.22 | Cytotoxicity against human PBMC | 20615584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17400463 | 10.1016/j.bmc.2007.03.050 | NON-PROTEIN TARGET | 1 |
| 17400463 | 10.1016/j.bmc.2007.03.050 | HEp-2 | 1 |
| 17400463 | 10.1016/j.bmc.2007.03.050 | PBMC | 1 |
| 17400463 | 10.1016/j.bmc.2007.03.050 | A-375 | 1 |
| 20615584 | 10.1016/j.ejmech.2010.06.021 | A-375 | 1 |
| 20615584 | 10.1016/j.ejmech.2010.06.021 | HEp-2 | 1 |
| 20615584 | 10.1016/j.ejmech.2010.06.021 | PBMC | 1 |
| 20615584 | 10.1016/j.ejmech.2010.06.021 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine