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Compound Detail

CHEMBL407578

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COc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407578
Phase Preclinical
Structure Type MOL
InChI Key HAIRUBAWLBUWML-HWKANZROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.03
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
18293907 10.1021/jm0708331 K562 1
18798609 10.1021/jm800812k K562 1
18798609 10.1021/jm800812k PC-3 1
18798609 10.1021/jm800812k HT-29 1
18798609 10.1021/jm800812k M14 1
18798609 10.1021/jm800812k MCF7 1
18798609 10.1021/jm800812k DU-145 1
18798609 10.1021/jm800812k NCI-H460 1
18798609 10.1021/jm800812k NIH3T3 1
18798609 10.1021/jm800812k Vero 1
18798609 10.1021/jm800812k Trypanosoma cruzi 1
19962891 10.1016/j.bmcl.2009.11.033 Leishmania amazonensis 1
32208222 10.1016/j.ejmech.2020.112216 RAW264.7 1

Data from ChEMBL 36 via Core Engine