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Compound Detail

CHEMBL1512620

PICEIN
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CC(=O)c1ccc(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 CHEMBL1512620
Name PICEIN
Phase Preclinical
Structure Type MOL
InChI Key GOZCEKPKECLKNO-RKQHYHRCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
-0.93
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.53
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 C14H18O7
MW 298.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11929285 10.1021/jf011108g Lolium multiflorum 8
11929285 10.1021/jf011108g Lactuca sativa 7
11929285 10.1021/jf011108g Trifolium pratense 6
11929285 10.1021/jf011108g Physalis ixocarpa 5
25737008 10.1016/j.bmcl.2015.02.024 Hepatitis B virus 3
21856162 10.1016/j.bmc.2011.07.036 NON-PROTEIN TARGET 1
11929285 10.1021/jf011108g Radical scavenging activity 1
11929285 10.1021/jf011108g Spinacia oleracea 1
25737008 10.1016/j.bmcl.2015.02.024 ADMET 1
25737008 10.1016/j.bmcl.2015.02.024 Unchecked 1

Data from ChEMBL 36 via Core Engine