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Compound Detail

CHEMBL5175338

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OC1(C(F)(F)F)CCCC2c3cc(Cl)c(Cl)cc3NC21

Basic Information

ChEMBL ID CHEMBL5175338
Phase Preclinical
Structure Type MOL
InChI Key YSUXNERJJMTAQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.1
MW (Da)
4.35
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12Cl2F3NO
MW 326.14
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 27.0 nM 7.57 Binding affinity to rat Androgen receptor in African green monkey COS-7 cells me... 35786895

Literature References

PubMed DOI Target Context # Activities
35786895 10.1021/acs.jmedchem.2c00716 Androgen receptor 1

Data from ChEMBL 36 via Core Engine