Compound Detail
CHEMBL242114
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Basic Information
| ChEMBL ID | CHEMBL242114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOZTWVGHQKXQOZ-VZUCSPMQSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
0.57
ALogP
4
HBA
3
HBD
79.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| HEp-2 CHEMBL614735 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT test | 18358728 |
| WI-38 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human WI38 cells after 72 hrs by MTT test | 18358728 |
| MIA PaCa-2 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human MiaPaCa2 cells after 72 hrs by MTT test | 18358728 |
| SW-620 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human SW620 cells after 72 hrs by MTT test | 18358728 |
| HEp-2 | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human Hep2 cells after 72 hrs by MTT test | 18358728 |
| Unchecked | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | HEp-2 | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | SW-620 | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | MCF7 | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | WI-38 | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | HeLa | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | MIA PaCa-2 | 1 |
| 18358728 | 10.1016/j.bmc.2008.03.006 | DNA | 1 |
Data from ChEMBL 36 via Core Engine