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

CHEMBL4847991

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)=COc1ccc(/C=C/C(O)c2ccc(OC=C(C)C)cc2OCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4847991
Phase Preclinical
Structure Type MOL
InChI Key ADOPVXSYJGWQLO-KPKJPENVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.50
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28O6
MW 424.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.58

Activity Summary

Kd 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 Kd 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 6500.0 nM 5.19 Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia co... 34547896

Literature References

PubMed DOI Target Context # Activities
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 6

Data from ChEMBL 36 via Core Engine