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Compound Detail

CHEMBL4784244

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C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784244
Phase Preclinical
Structure Type MOL
InChI Key NYTGRTXXKARMOU-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.2
MW (Da)
2.19
ALogP
7
HBA
2
HBD
127.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BrF3N6O2
MW 443.18
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.26 5.26 5481.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 5481.0 nM 5.26 Antagonist activity at recombinant human AR expressed in HEK293 cells assessed a... 33095584

Literature References

PubMed DOI Target Context # Activities
33095584 10.1021/acs.jmedchem.0c00943 Androgen receptor 3

Data from ChEMBL 36 via Core Engine