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

CHEMBL440563

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
CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=O)N1CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440563
Phase Preclinical
Structure Type MOL
InChI Key KPKGRMBTGIBECH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.3
MW (Da)
4.34
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.48
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 C21H20IN3O2
MW 473.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.88

Activity Summary

Ki 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 6.19 6.19 639.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 639.0 nM 6.19 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