Compound Detail
CHEMBL224758
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Basic Information
| ChEMBL ID | CHEMBL224758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBOPMBQNSPQMEZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
5.17
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 18000.0 | nM | 4.75 | Antiproliferative activity against ID8 cells | 17123821 |
| MCF7 | IC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against MCF7 cells | 17123821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17123821 | 10.1016/j.bmc.2006.10.063 | NON-PROTEIN TARGET | 1 |
| 17123821 | 10.1016/j.bmc.2006.10.063 | MCF7 | 1 |
| 17123821 | 10.1016/j.bmc.2006.10.063 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine