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Compound Detail

CHEMBL2230075

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

Basic Information

ChEMBL ID CHEMBL2230075
Phase Preclinical
Structure Type MOL
InChI Key DCTLGWKPROVAFF-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
4.49
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO7
MW 469.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.07

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