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Compound Detail

CHEMBL27372

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CCC1CCN(C=O)c2cc3nc(O)cc(C(F)(F)F)c3cc21

Basic Information

ChEMBL ID CHEMBL27372
Phase Preclinical
Structure Type MOL
InChI Key ICKZVZFIQAMKFY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.82
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F3N2O2
MW 324.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.38

Activity Summary

EC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
EC50 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 137.0 nM 6.86 Agonist activity to the human androgen receptor (hAR) in CV-1 cells 10340624

Literature References

PubMed DOI Target Context # Activities
10340624 10.1016/s0960-894x(99)00186-9 Androgen receptor 5

Data from ChEMBL 36 via Core Engine