Compound Detail
CHEMBL455419
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Basic Information
| ChEMBL ID | CHEMBL455419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGYDWSQCRFHYGF-BJMVGYQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
4.45
ALogP
3
HBA
1
HBD
52.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.64 | 4.64 | 22760.0 | 1 |
| 5637 CHEMBL612565 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 22760.0 | nM | 4.64 | Cytotoxicity against human LCLC-103H cells after 96 hrs by microtiter assay | 18187237 |
| 5637 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human 5637 cells after 96 hrs by microtiter assay | 18187237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18187237 | 10.1016/j.ejmech.2007.11.017 | NON-PROTEIN TARGET | 3 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | RT-4 | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | RT-112 | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | 5637 | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | KYSE-510 | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | YAPC | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | DAN-G | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | SISO | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | MCF7 | 1 |
| 18187237 | 10.1016/j.ejmech.2007.11.017 | A-427 | 1 |
Data from ChEMBL 36 via Core Engine