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Compound Detail

CHEMBL2229963

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COc1cc2cc(CN3CCCCC3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2229963
Phase Preclinical
Structure Type MOL
InChI Key SCKWFAPPMSMUGM-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO6
MW 439.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.03

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