Compound Detail
CHEMBL2425537
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Basic Information
| ChEMBL ID | CHEMBL2425537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITSLPPMXJYWVAI-DYTRJAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
6.89
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Ehrlich CHEMBL614641 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 120.0 | nM | 6.92 | Antitumor activity against mouse EAC cells by trypan blue exclusion assay | - |
| Ehrlich | IC50 | = | 130.0 | nM | 6.89 | Anticancer activity against mouse EAC cells assessed as reduction in cell viabil... | 33276991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0859-y | NON-PROTEIN TARGET | 3 |
| - | 10.1007/s00044-013-0859-y | Ehrlich | 3 |
| 33276991 | 10.1016/j.ejmech.2020.113034 | Ehrlich | 1 |
Data from ChEMBL 36 via Core Engine