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

CHEMBL2230070

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
COC(=O)C1CCCCN1C(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2230070
Phase Preclinical
Structure Type MOL
InChI Key BOLGISBOGIJPET-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
4.20
ALogP
7
HBA
0
HBD
83.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO7
MW 467.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.29

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
21058739 10.1021/jf103440s Tobacco mosaic virus 6
25221661 10.1021/ml500255j RAW264.7 2
25221661 10.1021/ml500255j NON-PROTEIN TARGET 2
25221661 10.1021/ml500255j T-cell 1

Data from ChEMBL 36 via Core Engine