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Compound Detail

CHEMBL201358

HELICIDE
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O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201358
Name HELICIDE
Phase Preclinical
Structure Type MOL
InChI Key OLZAGZCCJJBKNZ-SYLRKERUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-1.32
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.51
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 C13H16O7
MW 284.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.82

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18996693 10.1016/j.bmcl.2008.10.056 Tyrosinase 2
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
16290145 10.1016/j.bmcl.2005.10.040 4-aminobutyrate aminotransferase, mitochondrial 1
17574306 10.1016/j.ejmech.2007.03.018 Acetylcholinesterase 1
17574306 10.1016/j.ejmech.2007.03.018 Cholinesterase 1
19800229 10.1016/j.bmcl.2009.09.018 Tyrosinase 1
19726199 10.1016/j.bmc.2009.08.017 Acetylcholinesterase 1
28274626 10.1016/j.bmcl.2017.02.067 MCF7 1

Data from ChEMBL 36 via Core Engine