Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL179525

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@](O)(CI)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179525
Phase Preclinical
Structure Type MOL
InChI Key ZIIVSQSRUPHYKS-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.1
MW (Da)
2.74
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10F3IN2O4
MW 418.11
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.99

Activity Summary

Ki 1 meas. best 9.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 9.07 9.07 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 0.8511 nM 9.07 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