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Compound Detail

CHEMBL5196915

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CC(O)(C[S+]([O-])c1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL5196915
Phase Preclinical
Structure Type MOL
InChI Key RDCHUMQEYZWODS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
6.16
ALogP
2
HBA
2
HBD
59.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl3F3NO2S
MW 470.73
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 100.0 nM 7.0 Binding affinity to Androgen receptor (unknown origin) 35786895

Literature References

PubMed DOI Target Context # Activities
35786895 10.1021/acs.jmedchem.2c00716 Androgen receptor 1

Data from ChEMBL 36 via Core Engine