Compound Detail
CHEMBL4569822
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 | CHEMBL4569822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOKAXJSLKDRFAW-MDZDMXLPSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.53
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 5.13 | 5.11 | 7400.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.94 | 4.925 | 11500.0 | 2 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 7400.0 | nM | 5.13 | Antiproliferative activity against human U937 cells assessed as reduction in cel... | 31191862 |
| U-937 | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against human U937 cells assessed as reduction in cell viability in... | 31673309 |
| A549 | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | 31673309 |
| HeLa | IC50 | = | 11500.0 | nM | 4.94 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 31673309 |
| MIA PaCa-2 | IC50 | = | 11800.0 | nM | 4.93 | Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell viabilit... | 31673309 |
| HeLa | IC50 | = | 12200.0 | nM | 4.91 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 31191862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31673309 | 10.1039/C9MD00052F | MIA PaCa-2 | 19 |
| 31191862 | 10.1039/C9MD00010K | MIA PaCa-2 | 17 |
| 31191862 | 10.1039/C9MD00010K | A549 | 2 |
| 31191862 | 10.1039/C9MD00010K | HeLa | 2 |
| 31191862 | 10.1039/C9MD00010K | U-937 | 2 |
| 31191862 | 10.1039/C9MD00010K | REH | 2 |
| 31673309 | 10.1039/C9MD00052F | HeLa | 1 |
| 31673309 | 10.1039/C9MD00052F | U-937 | 1 |
| 31673309 | 10.1039/C9MD00052F | A549 | 1 |
| 31673309 | 10.1039/C9MD00052F | REH | 1 |
| 31673309 | 10.1039/C9MD00052F | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine