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Compound Detail

CHEMBL5856601

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C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5856601
Phase Preclinical
Structure Type MOL
InChI Key YJEAGZRUUPZIKH-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
2.27
ALogP
6
HBA
2
HBD
120.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F4N3O4S
MW 431.37
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 490.0 nM 6.31 Gal4-luciferase reporter assay: Briefly, the AR LBD is expressed as a fusion wit... -

Data from ChEMBL 36 via Core Engine