Compound Detail
CHEMBL244900
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 | CHEMBL244900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKZISGMMHANGBU-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.59
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 6.01 | 6.01 | 977.2 | 2 |
| A-375 CHEMBL613859 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.56 | 5.56 | 2770.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.41 | 5.41 | 3870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human Jurkat cells by MTS assay after 24 hrs | 17887662 |
| U-937 | IC50 | = | 980.0 | nM | 6.01 | Cytotoxicity against human U937 cells by MTS assay after 24 hrs | 17887662 |
| U-937 | IC50 | = | 977.24 | nM | 6.01 | Anticancer activity against human U937 cells by MTS assay | 20056518 |
| A-375 | IC50 | = | 1680.0 | nM | 5.78 | Cytotoxicity against human A375 cells by MTS assay after 24 hrs | 17887662 |
| HCT-116 | IC50 | = | 1840.0 | nM | 5.74 | Cytotoxicity against human HCT116 cells by MTS assay after 24 hrs | 17887662 |
| PC-3 | IC50 | = | 2170.0 | nM | 5.66 | Cytotoxicity against human PC3 cells by MTS assay after 24 hrs | 17887662 |
| NON-PROTEIN TARGET | IC50 | = | 2770.0 | nM | 5.56 | Cytotoxicity against human MD-MB-231 cells by MTS assay after 24 hrs | 17887662 |
| MCF7 | IC50 | = | 3870.0 | nM | 5.41 | Cytotoxicity against human MCF7 cells by MTS assay after 24 hrs | 17887662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17887662 | 10.1021/jm0704189 | U-937 | 1 |
| 17887662 | 10.1021/jm0704189 | Jurkat | 1 |
| 17887662 | 10.1021/jm0704189 | MCF7 | 1 |
| 17887662 | 10.1021/jm0704189 | PC-3 | 1 |
| 17887662 | 10.1021/jm0704189 | NON-PROTEIN TARGET | 1 |
| 17887662 | 10.1021/jm0704189 | HCT-116 | 1 |
| 17887662 | 10.1021/jm0704189 | A-375 | 1 |
| 20056518 | 10.1016/j.ejmech.2009.12.010 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine