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Compound Detail

CHEMBL375907

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CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21

Basic Information

ChEMBL ID CHEMBL375907
Phase Preclinical
Structure Type MOL
InChI Key CPGUJERDXYYCGN-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
3.54
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.81
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 C16H17F3N2O2
MW 326.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.85

Activity Summary

EC50 1 meas. best 8.11
Ki 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
EC50 8.11 8.11 7.8 1
Androgen receptor
CHEMBL1871
Ki 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17439112 10.1021/jm061329j Androgen receptor 5

Data from ChEMBL 36 via Core Engine