Compound Detail
CHEMBL2088767
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Basic Information
| ChEMBL ID | CHEMBL2088767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAVYLFQVVWIFPZ-FNORWQNLSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.61
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H157 CHEMBL614783 | IC50 | 4.55 | 4.55 | 28300.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.45 | 4.4 | 35700.0 | 2 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H157 | IC50 | = | 28300.0 | nM | 4.55 | Cytotoxicity against human NCI-H157 cells after 72 hrs by alamar blue assay | 22954735 |
| HeLa | IC50 | = | 28700.0 | nM | 4.54 | Cytotoxicity against human HeLa cells after 72 hrs by alamar blue assay | 22954735 |
| A549 | IC50 | = | 34600.0 | nM | 4.46 | Cytotoxicity against human A549 cells after 72 hrs by alamar blue assay | 22954735 |
| NON-PROTEIN TARGET | IC50 | = | 35700.0 | nM | 4.45 | Cytotoxicity against human H266 cells after 72 hrs by alamar blue assay | 22954735 |
| NCI-H1299 | IC50 | = | 38000.0 | nM | 4.42 | Cytotoxicity against human NCI-H1299 cells after 72 hrs by alamar blue assay | 22954735 |
| NON-PROTEIN TARGET | IC50 | = | 44800.0 | nM | 4.35 | Cytotoxicity against human SKBR cells after 72 hrs by alamar blue assay | 22954735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22954735 | 10.1016/j.bmcl.2012.08.038 | NON-PROTEIN TARGET | 4 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | NCI-H157 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | HeLa | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | A549 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | NCI-H1299 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | NCI-H460 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | NCI-H1792 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | HOP-62 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | Calu-1 | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | LOX IMVI | 1 |
| 22954735 | 10.1016/j.bmcl.2012.08.038 | M14 | 1 |
Data from ChEMBL 36 via Core Engine