Compound Detail
CHEMBL2323904
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2323904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFZXVQZPLIVXRY-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
73.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| PPC-1 CHEMBL1626502 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 9.0 | nM | 8.05 | Cytotoxicity against human LNCAP cells assessed as growth inhibition after 96 hr... | 23547728 |
| PC-3 | IC50 | = | 13.0 | nM | 7.89 | Cytotoxicity against human PC3 cells assessed as growth inhibition after 96 hrs ... | 23547728 |
| A-375 | IC50 | = | 14.0 | nM | 7.85 | Cytotoxicity against human A375 cells assessed as growth inhibition after 48 hrs... | 23547728 |
| PPC-1 | IC50 | = | 15.0 | nM | 7.82 | Cytotoxicity against human PPC1 cells assessed as growth inhibition after 96 hrs... | 23547728 |
| MDA-MB-435 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human MDA-MB-435 cells assessed as growth inhibition after ... | 23547728 |
| DU-145 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human DU145 cells assessed as growth inhibition after 96 hr... | 23547728 |
| NON-PROTEIN TARGET | IC50 | = | 27.0 | nM | 7.57 | Cytotoxicity against human MDA-MB-435/LCC6MDR1 cells assessed as growth inhibiti... | 23547728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23547728 | 10.1021/jm4001117 | PC-3 | 3 |
| 23547728 | 10.1021/jm4001117 | NON-PROTEIN TARGET | 1 |
| 23547728 | 10.1021/jm4001117 | MDA-MB-435 | 1 |
| 23547728 | 10.1021/jm4001117 | A-375 | 1 |
| 23547728 | 10.1021/jm4001117 | DU-145 | 1 |
| 23547728 | 10.1021/jm4001117 | PPC-1 | 1 |
| 23547728 | 10.1021/jm4001117 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine