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Compound Detail

CHEMBL132609

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CN1c2cc3nccc(C(F)(F)F)c3cc2CCC1(C)C

Basic Information

ChEMBL ID CHEMBL132609
Phase Preclinical
Structure Type MOL
InChI Key XVKGCRCPDDCQSC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
4.41
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.71
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 C16H17F3N2
MW 294.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 6.14 6.14 725.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 725.0 nM 6.14 Inhibitory concentration against human androgen receptor (AR) dependent transcri... 10743937

Literature References

PubMed DOI Target Context # Activities
10743937 10.1016/s0960-894x(00)00010-x Androgen receptor 3

Data from ChEMBL 36 via Core Engine