Compound Detail
CHEMBL280910
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Basic Information
| ChEMBL ID | CHEMBL280910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPJFXFRNEJHDFR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
1.16
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 7.0 | 7.0 | 99.1 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.92 | 6.92 | 118.9 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 6.77 | 6.77 | 171.1 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.46 | 5.46 | 3430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 99.1 | nM | 7.0 | Antiproliferative activity against human A549 cells by SRB assay | 18243701 |
| MCF7 | IC50 | = | 118.9 | nM | 6.92 | Antiproliferative activity against human MCF7 cells by SRB assay | 18243701 |
| NCI-H460 | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against human H460 cells by MTT assay | 17035038 |
| WI-38 | IC50 | = | 171.1 | nM | 6.77 | Antiproliferative activity against human WI38 cells by SRB assay | 18243701 |
| DNA polymerase I, thermostable | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Taq polymerase | 17035038 |
| Jurkat | IC50 | = | 3430.0 | nM | 5.46 | Cytotoxicity against human Jurkat T cells assessed as decrease in cell viability... | 22200402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032424 | 10.1021/jm00147a016 | Mus musculus | 2 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | DNA polymerase I, thermostable | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | NCI-H460 | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | HT-29 | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | Telomerase reverse transcriptase | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | Unchecked | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | DNA | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | MCF7 | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | A549 | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | WI-38 | 1 |
| 22200402 | 10.1016/j.ejmech.2011.12.003 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine