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Compound Detail

CHEMBL3581697

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COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581697
Phase Preclinical
Structure Type MOL
InChI Key RLJNIUWDLJTFJV-DZUWHBGLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
1.51
ALogP
10
HBA
5
HBD
147.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H34O10
MW 506.55
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.84

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25894905 10.1021/acs.jnatprod.5b00090 C6 1
25894905 10.1021/acs.jnatprod.5b00090 ADMET 1
25894905 10.1021/acs.jnatprod.5b00090 NON-PROTEIN TARGET 1
25894905 10.1021/acs.jnatprod.5b00090 SK-MEL-2 1
25894905 10.1021/acs.jnatprod.5b00090 SK-OV-3 1
25894905 10.1021/acs.jnatprod.5b00090 A549 1
25894905 10.1021/acs.jnatprod.5b00090 HCT-15 1

Data from ChEMBL 36 via Core Engine