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

CHEMBL3919650

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
O=C(/C=C/C=C/c1ccc(O)cc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3919650
Phase Preclinical
Structure Type MOL
InChI Key CZQGQSTXDRQRDU-REZHQCRGSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.84
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O2
MW 250.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.53

Activity Summary

IC50 2 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.92 5.205 1200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27267003 10.1016/j.ejmech.2016.05.040 No relevant target 6

Data from ChEMBL 36 via Core Engine