Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL400098

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H](c1ccccc1)N(C)c1cc(C(F)(F)F)c(C#N)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400098
Phase Preclinical
Structure Type MOL
InChI Key WSOLZTILLRNJPH-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
4.17
ALogP
3
HBA
0
HBD
39.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F3N3
MW 305.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1700.0 nM 5.77 Displacement of [3H]dihydrotestosterone from human androgen receptor expressed i... 17766112

Literature References

PubMed DOI Target Context # Activities
17766112 10.1016/j.bmcl.2007.07.059 Androgen receptor 2

Data from ChEMBL 36 via Core Engine