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

CHEMBL198651

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
CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198651
Phase Preclinical
Structure Type MOL
InChI Key DITSBKTVHHYDRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.6
MW (Da)
6.14
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35NO2
MW 381.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3056
 IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 3500.0 nM 5.46 Androgen antagonistic activity as inhibitory concentration against testosterone-... 16019211

Literature References

PubMed DOI Target Context # Activities
16019211 10.1016/j.bmcl.2005.06.044 Androgen receptor 2
16019211 10.1016/j.bmcl.2005.06.044 Vitamin D3 receptor 1
16019211 10.1016/j.bmcl.2005.06.044 Unchecked 1

Data from ChEMBL 36 via Core Engine