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Compound Detail

CHEMBL1078124

GUAIACYL GLYCEROL
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COc1cc(C(O)C(O)CO)ccc1O

Basic Information

ChEMBL ID CHEMBL1078124
Name GUAIACYL GLYCEROL
Phase Preclinical
Structure Type MOL
InChI Key LSKFUSLVUZISST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
-0.21
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H14O5
MW 214.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.42

Activity Summary

IC50 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.01 4.01 96900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 96900.0 nM 4.01 Cytotoxicity against mouse Colon 26-L5 cells after 72 hrs by MTT assay 19689125

Literature References

PubMed DOI Target Context # Activities
19689125 10.1021/np9003323 NON-PROTEIN TARGET 2
19689125 10.1021/np9003323 HT-1080 1
19689125 10.1021/np9003323 PANC-1 1
19689125 10.1021/np9003323 A549 1
19689125 10.1021/np9003323 HeLa 1

Data from ChEMBL 36 via Core Engine