Compound Detail
CHEMBL1241898
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Basic Information
| ChEMBL ID | CHEMBL1241898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIBGPVYQSFBUIH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
3.85
ALogP
7
HBA
2
HBD
61.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.46 | 4.46 | 34400.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.37 | 4.37 | 42300.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.25 | 4.25 | 56500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 34400.0 | nM | 4.46 | Cytotoxicity against human GLC82 cells after 48 hrs by MTT assay | 20554355 |
| NCI-H460 | IC50 | = | 42300.0 | nM | 4.37 | Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay | 20554355 |
| HUVEC | IC50 | = | 56500.0 | nM | 4.25 | Cytotoxicity against HUVEC cells after 48 hrs by MTT assay | 20554355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20554355 | 10.1016/j.ejmech.2010.05.043 | HUVEC | 6 |
| 20554355 | 10.1016/j.ejmech.2010.05.043 | NON-PROTEIN TARGET | 1 |
| 20554355 | 10.1016/j.ejmech.2010.05.043 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine