Compound Detail

CHEMBL87333

CIS-RESVERATROL

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Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL87333
Name	CIS-RESVERATROL
Phase	Preclinical
Structure Type	MOL
InChI Key	LUKBXSAWLPMMSZ-UPHRSURJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

228.2

MW (Da)

2.97

ALogP

HBA

HBD

60.7

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 4.91

EC50 2 meas. best 5.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.96	5.96	1100.0	1
Coxsackievirus B3 CHEMBL613554	IC50	4.91	4.91	12200.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.75	4.75	18000.0	1
HCT-116 CHEMBL394	IC50	4.6	4.6	25100.0	1
Unchecked CHEMBL612545	IC50	4.6	4.6	25100.0	1
MCF7 CHEMBL387	IC50	4.55	4.55	28380.0	1
Enterovirus A71 CHEMBL612436	IC50	4.42	4.42	37600.0	1
HL-60 CHEMBL383	IC50	4.38	4.38	42000.0	1
SK-BR-3 CHEMBL613834	IC50	4.38	4.38	41220.0	1
Amine oxidase [flavin-containing] B CHEMBL2039	IC50	4.21	4.21	61000.0	1
SW480 CHEMBL612544	IC50	4.05	4.05	90000.0	1
Radical scavenging activity CHEMBL613712	IC50	4.02	4.02	95000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	1100.0	nM	5.96	Antioxidant activity assessed as decrease in initial quantity of DPPH measured u...	-
Coxsackievirus B3	IC50	=	12200.0	nM	4.91	Antiviral activity against CVB3 infected in African green monkey Vero cells asse...	32652408
NON-PROTEIN TARGET	IC50	=	18000.0	nM	4.75	Antioxidant activity against cupric ion-induced lipid peroxidation in human LDL ...	9599270
Unchecked	IC50	=	25100.0	nM	4.6	Anticancer activity against human AZ-AHR cells assessed as cell growth inhibitio...	32485531
HCT-116	IC50	=	25100.0	nM	4.6	Anticancer activity against human HCT-116 cells assessed as cell growth inhibiti...	32485531
MCF7	IC50	=	28380.0	nM	4.55	Cytotoxicity against ER-positive human MCF7 cells assessed as growth inhibition ...	24119558
Enterovirus A71	IC50	=	37600.0	nM	4.42	Antiviral activity against human EV71 infected in African green monkey Vero cell...	32652408
HL-60	IC50	=	42000.0	nM	4.38	In vitro inhibitory concentration against proliferation of HL60 cells	12877593
SK-BR-3	IC50	=	41220.0	nM	4.38	Cytotoxicity against ER-negative human SKBR3 cells assessed as growth inhibition...	24119558
Amine oxidase [flavin-containing] B	IC50	=	61000.0	nM	4.21	Inhibition of MAOB	19321235
SW480	IC50	=	90000.0	nM	4.05	Antiproliferative activity against human SW480 cells assessed as cell viability ...	20395019
Radical scavenging activity	IC50	=	95000.0	nM	4.02	Antioxidant activity assessed as DPPH radical scavenging activity	9599270

PubMed	DOI	Target Context	# Activities
22115839	10.1016/j.bmc.2011.09.031	NAD(P)H dehydrogenase [quinone] 1	8
20395019	10.1016/j.ejmech.2010.03.024	SW480	5
22115839	10.1016/j.bmc.2011.09.031	Aromatase	2
-	10.1007/s00044-009-9236-2	NON-PROTEIN TARGET	2
21291235	10.1021/jm101248v	Unchecked	2
12877593	10.1021/jm030785u	HL-60	2
8277318	10.1021/np50100a021	Unchecked	1
19709889	10.1016/j.bmc.2009.07.076	NCI-H460	1
19709889	10.1016/j.bmc.2009.07.076	SF-268	1
32652408	10.1016/j.ejmech.2020.112541	Enterovirus A71	1
19709889	10.1016/j.bmc.2009.07.076	BXPC-3	1
19709889	10.1016/j.bmc.2009.07.076	P388	1
19321235	10.1016/j.ejmech.2009.02.031	Amine oxidase [flavin-containing] B	1
8277318	10.1021/np50100a021	Protein kinase C (PKC)	1
9599270	10.1021/np9704819	Radical scavenging activity	1
12036362	10.1021/jm010119y	DU-145	1
12036362	10.1021/jm010119y	Unchecked	1
12036362	10.1021/jm010119y	SF-268	1
12036362	10.1021/jm010119y	MCF7	1
12036362	10.1021/jm010119y	BXPC-3	1

Data from ChEMBL 36 via Core Engine