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

CHEMBL41069

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
CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)N(CC)CC)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41069
Phase Preclinical
Structure Type MOL
InChI Key LEANVSLVLHRVSO-SWATYJQJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.6
MW (Da)
6.94
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31NO
MW 409.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.26

Activity Summary

EC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ishikawa
CHEMBL614649
 EC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ishikawa EC50 = 2.3 nM 8.64 Concentration of compound required to induce 50 % of the maximum stimulation of ... 8201587

Literature References

PubMed DOI Target Context # Activities
8201587 10.1021/jm00037a002 Ishikawa 2

Data from ChEMBL 36 via Core Engine