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Compound Detail

CHEMBL264131

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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1C[C@H](NCNC(=O)c2cc(COCC#CCN3C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)ccc2O)[C@H](O)[C@H](C)O1

Basic Information

ChEMBL ID CHEMBL264131
Phase Preclinical
Structure Type MOL
InChI Key TZYXGPPDPJEZFJ-RDMWMZEBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1070.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H50F3N5O16
MW 1070.00

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 90.0 nM 7.05 Inhibition of [3H]mibolerone binding to human Androgen receptor of PC3/AR Cell L... 15509168

Literature References

PubMed DOI Target Context # Activities
15509168 10.1021/jm0495226 Androgen receptor 2

Data from ChEMBL 36 via Core Engine