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Compound Detail

CHEMBL255655

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CCCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255655
Phase Preclinical
Structure Type MOL
InChI Key CIPHZNQEIMSGOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
4.10
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18F6N2O3
MW 424.34
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 EC50 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 4.2 nM 8.38 Agonist activity at human androgen receptor in CV1 cells by transcriptional acti... 18400499

Literature References

PubMed DOI Target Context # Activities
18400499 10.1016/j.bmcl.2008.03.062 Androgen receptor 2

Data from ChEMBL 36 via Core Engine