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Compound Detail

CHEMBL5193409

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N#Cc1cc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193409
Phase Preclinical
Structure Type MOL
InChI Key GBVBGGFZESTJOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
3.95
ALogP
5
HBA
1
HBD
94.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11F4N5O
MW 413.33
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.47

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.2 5.2 6340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 6340.0 nM 5.2 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