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Compound Detail

CHEMBL3752836

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COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752836
Phase Preclinical
Structure Type MOL
InChI Key XKKQZJGDCFDION-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

382.8
MW (Da)
3.35
ALogP
7
HBA
3
HBD
122.5
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 C17H15ClO8
MW 382.75
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26706176 10.1016/j.bmcl.2015.12.009 Unchecked 1
27933892 10.1021/acs.jnatprod.6b00766 MCF7 1
27933892 10.1021/acs.jnatprod.6b00766 HepG2 1
27933892 10.1021/acs.jnatprod.6b00766 Jurkat 1
27933892 10.1021/acs.jnatprod.6b00766 A549 1
27933892 10.1021/acs.jnatprod.6b00766 K562 1
27933892 10.1021/acs.jnatprod.6b00766 Unchecked 1

Data from ChEMBL 36 via Core Engine