Compound Detail

CHEMBL210635

GENKWANIN

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COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL210635
Name	GENKWANIN
Phase	Preclinical
Structure Type	MOL
InChI Key	JPMYFOBNRRGFNO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

284.3

MW (Da)

2.88

ALogP

HBA

HBD

79.9

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 6.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	IC50	6.01	6.01	979.0	1
No relevant target CHEMBL2362975	IC50	6.0	6.0	1010.0	1
MDA-MB-468 CHEMBL614335	IC50	5.8	5.8	1600.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.77	5.77	1700.0	1
RAW264.7 CHEMBL612557	IC50	5.25	5.25	5640.0	1
HeLa CHEMBL399	IC50	5.09	5.09	8100.0	1
MCF7 CHEMBL387	IC50	4.99	4.99	10300.0	1
Inositol hexakisphosphate kinase 2 CHEMBL4523488	IC50	4.62	4.62	24000.0	1
MCF-10A CHEMBL614321	IC50	4.12	4.12	75000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MAP kinase-interacting serine/threonine-protein kinase 2	IC50	=	979.0	nM	6.01	Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed...	33026809
No relevant target	IC50	=	1010.0	nM	6.0	Antioxidant activity assessed as ONOO scavenging activity	31784199
MDA-MB-468	IC50	=	1600.0	nM	5.8	Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition...	33257172
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1700.0	nM	5.77	Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed ...	33393294
RAW264.7	IC50	=	5640.0	nM	5.25	Anti-inflammatory activity in LPS-stimulated mouse RAW264.7 cells assessed as in...	37683361
HeLa	IC50	=	8100.0	nM	5.09	Cytotoxicity against human HeLa cells assessed as reduction in cell viability in...	31784199
MCF7	IC50	=	10300.0	nM	4.99	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in...	31784199
Inositol hexakisphosphate kinase 2	IC50	=	24000.0	nM	4.62	Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins foll...	30624931
MCF-10A	IC50	=	75000.0	nM	4.12	Cytotoxicity against human MCF-10A cells assessed as inhibition of cell growth b...	33257172

PubMed	DOI	Target Context	# Activities
21482471	10.1016/j.bmc.2011.03.042	Cytochrome P450 1A1	2
33026809	10.1021/acs.jnatprod.0c00516	MAP kinase-interacting serine/threonine-protein kinase 2	2
20097567	10.1016/j.bmc.2009.12.062	Unchecked	2
18507367	10.1021/jm800115x	Alpha-amylase 1A	2
8759170	10.1021/np960336f	Unchecked	2
8759170	10.1021/np960336f	P388	2
8759170	10.1021/np960336f	KB	2
33393294	10.1021/acs.jnatprod.0c00589	Receptor-type tyrosine-protein kinase FLT3	2
16722653	10.1021/jm0600545	Plasmodium falciparum	2
1800636	10.1021/np50077a018	Unchecked	1
1710653	10.1021/np50073a012	Human immunodeficiency virus type 1 reverse transcriptase	1
1479375	10.1021/np50089a001	Tyrosine-protein kinase Lck	1
17189684	10.1016/j.bmcl.2006.12.029	Human immunodeficiency virus 1	1
17279798	10.1021/np060534z	HUVEC	1
17279798	10.1021/np060534z	TERT-RPE1	1
37683361	10.1016/j.ejmech.2023.115791	RAW264.7	1
17279798	10.1021/np060534z	Col2	1
17279798	10.1021/np060534z	Lu1	1
16722653	10.1021/jm0600545	3-oxoacyl-acyl-carrier protein reductase	1
16722653	10.1021/jm0600545	Enoyl-acyl-carrier protein reductase	1

Data from ChEMBL 36 via Core Engine