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Compound Detail

CHEMBL377611

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Cn1c2c(c3cc(F)ccc31)CSc1cc(C(F)(F)F)ccc1-2

Basic Information

ChEMBL ID CHEMBL377611
Phase Preclinical
Structure Type MOL
InChI Key UMHPBDUKBKGHIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
5.61
ALogP
2
HBA
0
HBD
4.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11F4NS
MW 337.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 2800.0 nM 5.55 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