Compound Detail
CHEMBL2297211
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Basic Information
| ChEMBL ID | CHEMBL2297211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXLSOGUOWDOXMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.18
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DU-145 CHEMBL613508 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 74000.0 | nM | 4.13 | Cytotoxicity against Homo sapiens (human) DU145 cells assessed as inhibition of ... | - |
| MCF7 | IC50 | = | 79000.0 | nM | 4.1 | Cytotoxicity against Homo sapiens (human) MCF7 cells assessed as inhibition of c... | - |
| NON-PROTEIN TARGET | IC50 | = | 82000.0 | nM | 4.09 | Cytotoxicity against Homo sapiens (human) H460 cells assessed as inhibition of c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0197-5 | NON-PROTEIN TARGET | 3 |
| - | 10.1007/s00044-012-0197-5 | DU-145 | 1 |
| - | 10.1007/s00044-012-0197-5 | MES-SA | 1 |
| - | 10.1007/s00044-012-0197-5 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine