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

CHEMBL184759

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
CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184759
Phase Preclinical
Structure Type MOL
InChI Key WEXQBXKYKJRFSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
2.34
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12IN3O2
MW 369.16
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.08

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 11.0 nM 7.96 Inhibition of rat prostate cytosolic androgen receptor 15454212

Literature References

PubMed DOI Target Context # Activities
15454212 10.1016/j.bmcl.2004.08.031 Androgen receptor 1

Data from ChEMBL 36 via Core Engine