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Compound Detail

CHEMBL179585

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C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179585
Phase Preclinical
Structure Type MOL
InChI Key GSXWVKUVVQIKGM-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
4.29
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.47
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 C20H16F3NO4S
MW 423.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 6.88 6.88 131.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 131.83 nM 6.88 Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... 15715462

Literature References

PubMed DOI Target Context # Activities
15715462 10.1021/jm0495879 Androgen receptor 1

Data from ChEMBL 36 via Core Engine