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Compound Detail

CHEMBL12658

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COc1ccc(-c2coc3cc(OC)ccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12658
Phase Preclinical
Structure Type MOL
InChI Key LPNBCGIVZXHHHO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.48
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.30

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10328294 10.1016/s0960-894x(99)00141-9 Helicobacter pylori 1
16441066 10.1021/np0502600 Leishmania donovani 1
16441066 10.1021/np0502600 Trypanosoma brucei brucei 1
16441066 10.1021/np0502600 Vero 1
23567958 10.1016/j.ejmech.2013.03.016 Urease subunit alpha/Urease subunit beta 1

Data from ChEMBL 36 via Core Engine