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Compound Detail

CHEMBL133329

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CC1(C)CCc2cc3c(C(F)(F)F)cc(N)nc3cc2N1

Basic Information

ChEMBL ID CHEMBL133329
Phase Preclinical
Structure Type MOL
InChI Key RHZRYZUXBBLGGR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.97
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.77
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 C15H16F3N3
MW 295.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 5.94 5.94 1159.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1159.0 nM 5.94 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