Compound Detail
CHEMBL3799243
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Basic Information
| ChEMBL ID | CHEMBL3799243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXNKWRMZNYIVEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
3.56
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.08 | 5.08 | 8340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against human LNCAP cells assessed as growth inhibition after 24 hr... | 27156770 |
| NON-PROTEIN TARGET | IC50 | = | 8340.0 | nM | 5.08 | Cytotoxicity against human PC3 cells assessed as growth inhibition after 24 hrs ... | 27156770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27156770 | 10.1016/j.bmcl.2016.04.058 | NON-PROTEIN TARGET | 1 |
| 27156770 | 10.1016/j.bmcl.2016.04.058 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine