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Compound Detail

CHEMBL207706

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Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2

Basic Information

ChEMBL ID CHEMBL207706
Phase Preclinical
Structure Type MOL
InChI Key MZXLONQJNNQZJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
3.65
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO
MW 249.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.41

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 30.0 nM 7.52 Inhibition of rat AR-mediated reporter gene expression in COS7 cells 16603353

Literature References

PubMed DOI Target Context # Activities
16603353 10.1016/j.bmcl.2006.03.047 Androgen receptor 2

Data from ChEMBL 36 via Core Engine