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Compound Detail

CHEMBL210924

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Oc1ccc2[nH]c3c(c2c1)CSc1ccccc1-3

Basic Information

ChEMBL ID CHEMBL210924
Phase Preclinical
Structure Type MOL
InChI Key BVGUKMAMOJMOFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
4.15
ALogP
2
HBA
2
HBD
36.0
PSA (Ų)
0.63
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 C15H11NOS
MW 253.33
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.19

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 4500.0 nM 5.35 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