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Compound Detail

CHEMBL5206094

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N#Cc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206094
Phase Preclinical
Structure Type MOL
InChI Key GWDIHGXULUFVQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
3.82
ALogP
5
HBA
1
HBD
94.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12F3N5O
MW 395.34
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.42

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 50.0 nM 7.3 Antagonist activity at androgen receptor (unknown origin) in human LNCap-ARR2PB-... 36154033

Literature References

PubMed DOI Target Context # Activities
36154033 10.1021/acs.jmedchem.2c00912 Androgen receptor 1

Data from ChEMBL 36 via Core Engine