Compound Detail
CHEMBL248786
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Basic Information
| ChEMBL ID | CHEMBL248786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQMAMZIHAWFLJU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.43
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.25 | 5.25 | 5560.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.04 | 5.04 | 9160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 5560.0 | nM | 5.25 | Antiproliferative activity against human MDA-MB-231 cells assessed as growth inh... | 24169233 |
| PC-3 | IC50 | = | 6400.0 | nM | 5.19 | Antiproliferative activity against human PC3 cells assessed as growth inhibition... | 24169233 |
| DU-145 | IC50 | = | 9160.0 | nM | 5.04 | Antiproliferative activity against human DU145 cells assessed as growth inhibiti... | 24169233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17845850 | 10.1016/j.bmcl.2007.01.088 | Unchecked | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | MDA-MB-231 | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | DU-145 | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine