Compound Detail
CHEMBL2324338
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Basic Information
| ChEMBL ID | CHEMBL2324338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALFGOGXVFFGDHQ-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.34
ALogP
6
HBA
1
HBD
82.7
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 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
| PPC-1 CHEMBL1626502 | IC50 | 5.25 | 5.25 | 5685.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.98 | 4.98 | 10390.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.96 | 4.96 | 10956.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.69 | 11428.0 | 2 |
| A-375 CHEMBL613859 | IC50 | 4.45 | 4.45 | 35414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 708.0 | nM | 6.15 | Cytotoxicity against human LNCAP cells assessed as growth inhibition after 96 hr... | 23547728 |
| PPC-1 | IC50 | = | 5685.0 | nM | 5.25 | Cytotoxicity against human PPC1 cells assessed as growth inhibition after 96 hrs... | 23547728 |
| PC-3 | IC50 | = | 10390.0 | nM | 4.98 | Cytotoxicity against human PC3 cells assessed as growth inhibition after 96 hrs ... | 23547728 |
| MDA-MB-435 | IC50 | = | 10956.0 | nM | 4.96 | Cytotoxicity against human MDA-MB-435 cells assessed as growth inhibition after ... | 23547728 |
| NON-PROTEIN TARGET | IC50 | = | 11428.0 | nM | 4.94 | Cytotoxicity against human MDA-MB-435/LCC6MDR1 cells assessed as growth inhibiti... | 23547728 |
| A-375 | IC50 | = | 35414.0 | nM | 4.45 | Cytotoxicity against human A375 cells assessed as growth inhibition after 48 hrs... | 23547728 |
| NON-PROTEIN TARGET | IC50 | = | 36007.0 | nM | 4.44 | Cytotoxicity against human WM164 cells assessed as growth inhibition after 48 hr... | 23547728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23547728 | 10.1021/jm4001117 | NON-PROTEIN TARGET | 2 |
| 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 | PC-3 | 1 |
| 23547728 | 10.1021/jm4001117 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine