Compound Detail

CHEMBL142652

PICEID

🧪 Phase II

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🧪 Phase II

OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL142652
Name	PICEID
Phase	Phase II
Structure Type	MOL
InChI Key	HSTZMXCBWJGKHG-CUYWLFDKSA-N

Known Names

(e)-piceid (e)-polydatin Piceid Polydatin Resveratrol 3-.beta.-mono-d-glucoside Trans-piceid Trans-polydatin

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

390.4

MW (Da)

0.45

ALogP

HBA

HBD

139.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C20H22O8
MW	390.39
Aromatic Rings	2
Heavy Atoms	28
NP-Likeness	1.75

Activity Summary

IC50 12 meas. best 5.11

EC50 2 meas. best 5.33

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.33	5.33	4700.0	1
Unchecked CHEMBL612545	EC50	5.22	5.22	6000.0	1
Unchecked CHEMBL612545	IC50	5.11	5.11	7700.0	1
RAW264.7 CHEMBL612557	IC50	4.87	4.87	13500.0	1
HT-29 CHEMBL384	IC50	4.75	4.75	18000.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.72	4.72	19100.0	1
MCF7 CHEMBL387	IC50	4.42	4.42	38000.0	1
Glucose-6-phosphate 1-dehydrogenase CHEMBL5347	IC50	4.13	4.13	74530.0	1
Aldo-keto reductase family 1 member B1 CHEMBL2622	IC50	4.0	4.0	100000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	4700.0	nM	5.33	Antiamyloidogenic activity assessed as inhibition of beta amyloid (25-35) fibril...	17049256
Unchecked	EC50	=	6000.0	nM	5.22	Inhibition of amyloid beta 25-35 fibril formation by using UV-visible measuremen...	20452207
Unchecked	IC50	=	7700.0	nM	5.11	PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified...	-
RAW264.7	IC50	=	13500.0	nM	4.87	inhibitory concentration against PGE-2 production in LPS-stimulated RAW264.7 cel...	15501064
HT-29	IC50	=	18000.0	nM	4.75	Anticancer activity against human HT-29 cells assessed as cell growth inhibition...	32485531
NON-PROTEIN TARGET	IC50	=	19100.0	nM	4.72	Antioxidant activity against cupric ion-induced lipid peroxidation in human LDL ...	9599270
MCF7	IC50	=	38000.0	nM	4.42	Anticancer activity against human MCF7 cells assessed as cell growth inhibition ...	32485531
Glucose-6-phosphate 1-dehydrogenase	IC50	=	74530.0	nM	4.13	Inhibition of G6PD (unknown origin) assessed as reduction in 6-phospho-D-glucono...	33689874
Aldo-keto reductase family 1 member B1	IC50	=	100000.0	nM	4.0	Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate aft...	22209731

Literature References

PubMed	DOI	Target Context	# Activities
20866032	10.1021/jm1007006	Mus musculus	12
34132541	10.1021/acs.jmedchem.1c00384	H9c2	9
23145924	10.1021/jf303290g	Diplodia seriata	5
35605360	10.1016/j.ejmech.2022.114469	H9c2	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
9392877	10.1021/np970069t	Platelet	4
23145924	10.1021/jf303290g	Neofusicoccum parvum	3
29407944	10.1016/j.ejmech.2018.01.037	Danio rerio	3
37468498	10.1038/s41467-023-40064-9	Nuclear receptor subfamily 1 group I member 2	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
18847246	10.1021/np800083x	NON-PROTEIN TARGET	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
20452207	10.1016/j.bmcl.2009.09.074	Unchecked	2
-	10.1101/2020.04.21.054387	SARS-CoV-2	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
22209731	10.1016/j.bmc.2011.11.067	Acidic alpha-glucosidase	2
22209731	10.1016/j.bmc.2011.11.067	Sucrase-isomaltase, intestinal	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
31655335	10.1016/j.ejmech.2019.111738	No relevant target	2
14698182	10.1016/j.bmcl.2003.10.038	Unchecked	2

Data from ChEMBL 36 via Core Engine