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Compound Detail

CHEMBL4091209

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COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091209
Phase Preclinical
Structure Type MOL
InChI Key MATGKVZWFZHCLI-CABCVRRESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.69
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O6
MW 358.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28754364 10.1016/j.bmcl.2017.06.070 HeLa 1
28754364 10.1016/j.bmcl.2017.06.070 HL-60 1
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine