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Compound Detail

CHEMBL2391422

TRIPHLORETHOL A
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Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(O)cc3O)cc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2391422
Name TRIPHLORETHOL A
Phase Preclinical
Structure Type MOL
InChI Key RZJSMTAJLZUPCT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.3
MW (Da)
3.21
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.36
QED
1
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 C18H14O9
MW 374.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23647823 10.1016/j.bmc.2013.04.026 Replicase polyprotein 1ab 4
23647823 10.1016/j.bmc.2013.04.026 Vero 1
23647823 10.1016/j.bmc.2013.04.026 Unchecked 1

Data from ChEMBL 36 via Core Engine