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Compound Detail

CHEMBL5194785

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N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(Cl)cc3)n2)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194785
Phase Preclinical
Structure Type MOL
InChI Key KVLWZAFLGWIHDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.8
MW (Da)
4.35
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12ClF3N4O
MW 404.78
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.43

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 1150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1150.0 nM 5.94 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