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Compound Detail

CHEMBL396656

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N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL396656
Phase Preclinical
Structure Type MOL
InChI Key LVFYAAITUNIVMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.2
MW (Da)
5.26
ALogP
1
HBA
0
HBD
23.8
PSA (Ų)
0.66
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7F6N
MW 315.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 7.96 7.96 10.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 10.9 nM 7.96 Displacement of [3H]DHT from human recombinant AR expressed in Sf9 cells 17764935

Literature References

PubMed DOI Target Context # Activities
17764935 10.1016/j.bmcl.2007.08.034 Androgen receptor 2
17764935 10.1016/j.bmcl.2007.08.034 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine