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Compound Detail

CHEMBL5209205

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C[C@](O)(CCOc1ccc(F)cc1)C(=O)N1CCc2c(C#N)cccc21

Basic Information

ChEMBL ID CHEMBL5209205
Phase Preclinical
Structure Type MOL
InChI Key LCCGHQZCKDIQDC-FQEVSTJZSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.81
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN2O3
MW 354.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.95

Activity Summary

EC50 1 meas. best 8.6
IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
EC50 8.6 8.6 2.5 1
Androgen receptor
CHEMBL1871
IC50 7.9 7.9 12.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35786895 10.1021/acs.jmedchem.2c00716 Androgen receptor 2

Data from ChEMBL 36 via Core Engine