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Compound Detail

CHEMBL207510

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CC(=O)Oc1ccc2c(c1)c1c(n2C)-c2ccccc2SC1

Basic Information

ChEMBL ID CHEMBL207510
Phase Preclinical
Structure Type MOL
InChI Key QPEDEGUPTWDSJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.38
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO2S
MW 309.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 6.06 6.06 880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 880.0 nM 6.06 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 1

Data from ChEMBL 36 via Core Engine