Compound Detail
CHEMBL374481
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Basic Information
| ChEMBL ID | CHEMBL374481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAAHAKHHZPIQRS-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.81
ALogP
6
HBA
1
HBD
82.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ACHN CHEMBL614519 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| HT-29 CHEMBL384 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.72 | 8.565 | 1.9 | 2 |
| H69AR CHEMBL5209893 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| HeLa CHEMBL399 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| NCI-H69 CHEMBL614805 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| PC-3 CHEMBL390 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ACHN | IC50 | = | 1.6 | nM | 8.8 | Antiproliferative activity against drug resistant ACHN cell line expressing MDR1... | 17286393 |
| HT-29 | IC50 | = | 1.7 | nM | 8.77 | Cytotoxicity against human HT29 cells | 17286393 |
| NON-PROTEIN TARGET | IC50 | = | 1.9 | nM | 8.72 | Antiproliferative activity against drug sensitive Messa cell line by Alamar Blue... | 17286393 |
| H69AR | IC50 | = | 2.2 | nM | 8.66 | Antiproliferative activity against drug resistant H69AR cell line expressing MRP... | 17286393 |
| HeLa | IC50 | = | 2.3 | nM | 8.64 | Cytotoxicity against human HeLa cells | 17286393 |
| NCI-H69 | IC50 | = | 2.5 | nM | 8.6 | Antiproliferative activity against drug sensitive NCI-H69 cell line by Alamar Bl... | 17286393 |
| NCI-H460 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of proliferation of human H460 cells | 17286393 |
| PC-3 | IC50 | = | 3.0 | nM | 8.52 | Cytotoxicity against human PC3 cells | 17286393 |
| NON-PROTEIN TARGET | IC50 | = | 3.9 | nM | 8.41 | Antiproliferative activity against drug resistant Messa/DX5 cell line expressing... | 17286393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17286393 | 10.1021/jm061348t | NON-PROTEIN TARGET | 2 |
| 17286393 | 10.1021/jm061348t | NCI-H460 | 1 |
| 17286393 | 10.1021/jm061348t | HT-29 | 1 |
| 17286393 | 10.1021/jm061348t | PC-3 | 1 |
| 17286393 | 10.1021/jm061348t | HeLa | 1 |
| 17286393 | 10.1021/jm061348t | ACHN | 1 |
| 17286393 | 10.1021/jm061348t | NCI-H69 | 1 |
| 17286393 | 10.1021/jm061348t | H69AR | 1 |
Data from ChEMBL 36 via Core Engine