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Compound Detail

CHEMBL2230071

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COc1cc2cc(CN3CCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2230071
Phase Preclinical
Structure Type MOL
InChI Key JYFBXWFCJFDMNT-IBGZPJMESA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
4.08
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.57
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 C24H27NO6
MW 425.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.02

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