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

CHEMBL469759

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)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469759
Phase Preclinical
Structure Type MOL
InChI Key RXSZCFAPSDTELY-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.2
MW (Da)
2.80
ALogP
5
HBA
2
HBD
106.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H14IN3O3
MW 447.23
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.22

Activity Summary

Ki 2 meas. best 9.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 Ki 9.27 9.27 0.5 1
Androgen receptor
CHEMBL3072
 Ki 9.27 9.27 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 0.54 nM 9.27 Binding affinity to rat androgen receptor by competitive inhibition assay 18805694
Androgen receptor Ki = 0.54 nM 9.27 Binding affinity to Androgen receptor (unknown origin) assessed as inhibition co... 35063736

Literature References

PubMed DOI Target Context # Activities
18805694 10.1016/j.bmcl.2008.09.002 Androgen receptor 1
35063736 10.1016/j.ejmech.2022.114119 Androgen receptor 1

Data from ChEMBL 36 via Core Engine