Compound Detail
CHEMBL1796224
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Basic Information
| ChEMBL ID | CHEMBL1796224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBLCIIZSKHOWNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
2.09
ALogP
8
HBA
2
HBD
125.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.09 | 4.09 | 80350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 80350.0 | nM | 4.09 | Cytostatic activity against human MCF7 cells assessed as inhibition of cell prol... | 21524828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21524828 | 10.1016/j.ejmech.2011.03.066 | WI-38 | 1 |
| 21524828 | 10.1016/j.ejmech.2011.03.066 | MIA PaCa-2 | 1 |
| 21524828 | 10.1016/j.ejmech.2011.03.066 | SW-620 | 1 |
| 21524828 | 10.1016/j.ejmech.2011.03.066 | HepG2 | 1 |
| 21524828 | 10.1016/j.ejmech.2011.03.066 | MCF7 | 1 |
| 21524828 | 10.1016/j.ejmech.2011.03.066 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine