NPASS Natural Product

Natural Product: NPC46451

Natural Product ID:	NPC46451
Common Name:	Sanguinarium
IUPAC Name:
Synonyms:	Sanguinarine
Molecular Formula:	C20H14NO4
Standard InCHIKey:	INVGWHRKADIJHF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Canonical SMILES:	C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO26230	Lappula echinata	Species	Boraginaceae	Eukaryota	UNPD*
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	UNPD*
NPO23223	Symphytum officinale	Species	Boraginaceae	Eukaryota	UNPD*
NPO29080	Ulex airensis	Species	Fabaceae	Eukaryota	UNPD*
NPO24087	Psacalium peltatum	Species	Asteraceae	Eukaryota	UNPD*
NPO24480	Diospyros ebenum	Species	Ebenaceae	Eukaryota	UNPD*
NPO4790	Bocconia cordata	Species	Papaveraceae	Eukaryota	UNPD*
NPO9498	Papaver somniferum	Species	Papaveraceae	Eukaryota	UNPD*
NPO21677	Liatris aspera	Species	Asteraceae	Eukaryota	UNPD*
NPO15221	Crambe fruticosa	Species	Brassicaceae	Eukaryota	UNPD*
NPO24868	Streptomyces aizunensis	Species	Streptomycetaceae	Bacteria	UNPD*
NPO13216	Streptomyces pulveraceus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO25316	Lasius niger	Species	Formicidae	Eukaryota	UNPD*
NPO25166	Corydalis ophiocarpa	Species	Papaveraceae	Eukaryota	UNPD*
NPO21143	Cryptocarya canelilla	Species	Lauraceae	Eukaryota	UNPD*
NPO11457	Chelidonium majus	Species	Papaveraceae	Eukaryota	TM-MC*
NPO2466	Aloe microstigma	Species	Asphodelaceae	Eukaryota	UNPD*
NPO7312	Aplidium multiplicatum	Species	Polyclinidae	Eukaryota	UNPD*
NPO24584	Corydalis bungeana	Species	Papaveraceae	Eukaryota	TM-MC*
NPO22441	Senna spectabilis	Species	Fabaceae	Eukaryota	UNPD*
NPO9650	Zanthoxylum nitidum	Species	Rutaceae	Eukaryota	TM-MC*
NPO336	Chaetomorpha moniligera	Species	Cladophoraceae	Eukaryota	UNPD*
NPO20271	Canarina canariensis	Species	Campanulaceae	Eukaryota	UNPD*
NPO26193	Piper methysticum	Species	Piperaceae	Eukaryota	UNPD*
NPO25619	Vitex divaricata	Species	Lamiaceae	Eukaryota	UNPD*
NPO25484	Bumelia obtusifolia	NA	NA	NA	UNPD*
NPO8144	Labidiaster annulatus	Species	Labidiasteridae	Eukaryota	UNPD*
NPO21424	Garcinia xanthochymus	Species	Clusiaceae	Eukaryota	UNPD*
NPO10176	Chrozophora prostrata	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO19340	Orobanche caerulescens	Species	Orobanchaceae	Eukaryota	UNPD*
NPO21004	Nicotiana plumbaginifolia	Species	Solanaceae	Eukaryota	UNPD*
NPO24758	Angelica dahurica	Species	Apiaceae	Eukaryota	UNPD*
NPO25657	Mezzettia leptopoda	Species	Annonaceae	Eukaryota	UNPD*
NPO18421	Tachardia lacca	NA	NA	NA	UNPD*
NPO25345	Corydalis ternata	Species	Papaveraceae	Eukaryota	UNPD*
NPO25505	Astilbe japonica	Species	Saxifragaceae	Eukaryota	UNPD*
NPO7177	Inocybe rimosa	Species	Inocybaceae	Eukaryota	UNPD*
NPO18580	Diabelia spathulata	Species	Caprifoliaceae	Eukaryota	UNPD*
NPO25881	Stachys plumosa	Species	Lamiaceae	Eukaryota	UNPD*
NPO25624	Teclea sudanica	Species	Rutaceae	Eukaryota	UNPD*
NPO18823	Colysis pothifolia	Species	Polypodiaceae	Eukaryota	UNPD*
NPO20871	Pueraria tuberosa	Species	Fabaceae	Eukaryota	UNPD*
NPO21230	Heterodermia obscurata	Species	Physciaceae	Eukaryota	UNPD*
NPO1106	Artabotrys maingayi	Species	Annonaceae	Eukaryota	UNPD*
NPO29053	Dictyostelium longosporum	Species	NA	Eukaryota	UNPD*
NPO18613	Commiphora erlangeriana	Species	Burseraceae	Eukaryota	UNPD*
NPO26428	Ligularia sagitta	Species	Asteraceae	Eukaryota	UNPD*
NPO23296	Teucrium carolipaui	Species	Lamiaceae	Eukaryota	UNPD*
NPO25373	Stereocaulon alpinum	Species	Stereocaulaceae	Eukaryota	UNPD*
NPO8315	Wunderlichia crulsiana	Species	Asteraceae	Eukaryota	UNPD*
NPO24024	Fusarium incarnatum	Species	Nectriaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
AC50	12
EC50	6
IC50	16
MIC	13
Others	17
Potency	197

Activity Type	# Activity
Cell Line	4
Individual Protein	137
Organism	24
Others	93
Protein Complex	1
Protein-Protein Interaction	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2967	Individual Protein	Alanine aminotransferase	Rattus norvegicus	ID50	=	3.40E-06	nM	7288825
NPT2967	Individual Protein	Alanine aminotransferase	Rattus norvegicus	Inhibition	=	20	%	7288825
NPT2967	Individual Protein	Alanine aminotransferase	Rattus norvegicus	Inhibition	=	74	%	7288825
NPT2967	Individual Protein	Alanine aminotransferase	Rattus norvegicus	Inhibition	=	15	%	7288825
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	=	15	ug/ml	9644074
NPT1127	Organism	Porphyromonas gingivalis	Porphyromonas gingivalis	MIC	=	15	ug/ml	9644074
NPT1127	Organism	Porphyromonas gingivalis	Porphyromonas gingivalis	MIC	=	2	ug/ml	8904847
NPT1128	Organism	Prevotella intermedia	Prevotella intermedia	MIC	=	2	ug/ml	8904847
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	=	15	ug/ml	8904847
NPT1129	Organism	Actinomyces viscosus	Actinomyces viscosus	MIC	=	15	ug/ml	8904847
NPT2968	Individual Protein	Bcl2-antagonist of cell death (BAD)	Homo sapiens	IC50	=	19000	nM	18925736
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	398.1	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	=	10000	nM	PubChem BioAssay data set
NPT2741	Individual Protein	Pyruvate kinase	Leishmania mexicana	Potency	=	10000	nM	PubChem BioAssay data set
NPT2969	Individual Protein	Regulator of G-protein signaling 12	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT48	Individual Protein	Lysine-specific demethylase 4D-like	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT149	Individual Protein	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Homo sapiens	Potency	=	3981.1	nM	PubChem BioAssay data set
NPT149	Individual Protein	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT48	Individual Protein	Lysine-specific demethylase 4D-like	Homo sapiens	Potency	=	7079.5	nM	PubChem BioAssay data set
NPT1197	Individual Protein	Huntingtin	Homo sapiens	Potency	=	6309.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	=	1995.3	nM	PubChem BioAssay data set
NPT1620	Individual Protein	Signal transducer and activator of transcription 6	Homo sapiens	Potency	=	10000	nM	PubChem BioAssay data set
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	=	461.1	nM	PubChem BioAssay data set
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	46109.1	nM	PubChem BioAssay data set
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	22387.2	nM	PubChem BioAssay data set
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	11220.2	nM	PubChem BioAssay data set
NPT210	Individual Protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT210	Individual Protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	Potency	=	3162.3	nM	PubChem BioAssay data set
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	Potency	=	6309.6	nM	PubChem BioAssay data set
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	7079.5	nM	PubChem BioAssay data set
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	6309.6	nM	PubChem BioAssay data set
NPT211	Individual Protein	Hypoxia-inducible factor 1 alpha	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT211	Individual Protein	Hypoxia-inducible factor 1 alpha	Homo sapiens	Potency	=	10000	nM	PubChem BioAssay data set
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	22387.2	nM	PubChem BioAssay data set
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	8912.5	nM	PubChem BioAssay data set
NPT52	Individual Protein	Pyruvate kinase isozymes M1/M2	Homo sapiens	Potency	=	10000	nM	PubChem BioAssay data set
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	10000	nM	PubChem BioAssay data set
NPT583	Individual Protein	Inositol monophosphatase 1	Rattus norvegicus	Potency	=	10000	nM	PubChem BioAssay data set
NPT792	Individual Protein	Arachidonate 15-lipoxygenase	Homo sapiens	Potency	=	3162.3	nM	PubChem BioAssay data set
NPT792	Individual Protein	Arachidonate 15-lipoxygenase	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT1119	Individual Protein	Arachidonate 12-lipoxygenase	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT1119	Individual Protein	Arachidonate 12-lipoxygenase	Homo sapiens	Potency	=	10000	nM	PubChem BioAssay data set
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	=	2511.9	nM	PubChem BioAssay data set
NPT55	Individual Protein	Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	=	6294.6	nM	PubChem BioAssay data set
NPT150	Individual Protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT150	Individual Protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	10000	nM	PubChem BioAssay data set
NPT1620	Individual Protein	Signal transducer and activator of transcription 6	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT45	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 2	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	145809.7	nM	PubChem BioAssay data set
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	3288.5	nM	PubChem BioAssay data set
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	3162.3	nM	PubChem BioAssay data set
NPT151	Individual Protein	15-hydroxyprostaglandin dehydrogenase [NAD+]	Homo sapiens	Potency	=	14125.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	=	12589.3	nM	PubChem BioAssay data set
NPT95	Individual Protein	Muscarinic acetylcholine receptor M1	Rattus norvegicus	Potency	=	141.3	nM	PubChem BioAssay data set
NPT96	Individual Protein	Thrombopoietin	Homo sapiens	Potency	=	1000	nM	PubChem BioAssay data set
NPT151	Individual Protein	15-hydroxyprostaglandin dehydrogenase [NAD+]	Homo sapiens	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	3162.3	nM	PubChem BioAssay data set
NPT149	Individual Protein	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	6309.6	nM	PubChem BioAssay data set
NPT95	Individual Protein	Muscarinic acetylcholine receptor M1	Rattus norvegicus	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	2511.9	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	3162.3	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT550	Cell Line	T-24	Homo sapiens	Activity	=	639.2	U/mg	20980080
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency		2908.1	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		18356.4	nM	PubChem BioAssay data set
NPT443	Individual Protein	Histone acetyltransferase GCN5	Homo sapiens	Potency		15848.9	nM	PubChem BioAssay data set
NPT1005	Individual Protein	Tumor susceptibility gene 101 protein	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT1623	Individual Protein	DNA polymerase III	Bacillus subtilis (strain 168)	Potency		8436.8	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		12589.3	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		1888.8	nM	PubChem BioAssay data set
NPT62	Individual Protein	6-phospho-1-fructokinase	Trypanosoma brucei	Potency		47.8	nM	PubChem BioAssay data set
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency		9466.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		7307.8	nM	PubChem BioAssay data set
NPT1139	Individual Protein	Arachidonate 15-lipoxygenase, type II	Homo sapiens	Potency		3981.1	nM	PubChem BioAssay data set
NPT533	Protein-Protein Interaction	Runt-related transcription factor 1/Core-binding factor subunit beta	Homo sapiens	Potency		17782.8	nM	PubChem BioAssay data set
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency		580.2	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	AC50	=	31622.78	nM	PubChem BioAssay data set
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	AC50	=	15848.93	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	AC50	=	7943.28	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	AC50	=	12589.25	nM	PubChem BioAssay data set
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	AC50	=	3162.28	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	AC50	=	3162.28	nM	PubChem BioAssay data set
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	AC50	=	3981.07	nM	PubChem BioAssay data set
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	AC50	=	10000	nM	PubChem BioAssay data set
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	AC50	=	6309.57	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		35481.3	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		7943.3	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		2818.4	nM	PubChem BioAssay data set
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency		6309.6	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		16944.1	nM	PubChem BioAssay data set
NPT803	Individual Protein	Flap endonuclease 1	Homo sapiens	Potency		26679.5	nM	PubChem BioAssay data set
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency		17782.8	nM	PubChem BioAssay data set
NPT65	Cell Line	HepG2	Homo sapiens	Potency		2818.4	nM	PubChem BioAssay data set
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		17782.8	nM	PubChem BioAssay data set
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		2119.2	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		6745.6	nM	PubChem BioAssay data set
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency		2511.9	nM	PubChem BioAssay data set
NPT71	Cell Line	HEK293	Homo sapiens	Potency		1031.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1834.9	nM	PubChem BioAssay data set
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Potency		3548.1	nM	PubChem BioAssay data set
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency		31622.8	nM	PubChem BioAssay data set
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	34000	nM	22182580
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	0.034	nM	22182580
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	8500	nM	22182580
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MBC	=	0.034	nM	22182580
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	EC50	=	24500	nM	22182580
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	EC50	=	4400	nM	22182580
NPT2	Others	Unspecified		Ratio	=	4		22182580
NPT445	Individual Protein	Peripheral myelin protein 22	Rattus norvegicus	Potency		15836.9	nM	PubChem BioAssay data set
NPT445	Individual Protein	Peripheral myelin protein 22	Rattus norvegicus	Potency		8087.5	nM	PubChem BioAssay data set
NPT888	Individual Protein	78 kDa glucose-regulated protein	Homo sapiens	Potency		7079.5	nM	PubChem BioAssay data set
NPT888	Individual Protein	78 kDa glucose-regulated protein	Homo sapiens	Potency		4140	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3219.7	nM	PubChem BioAssay data set
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency		7208	nM	PubChem BioAssay data set
NPT100	Individual Protein	Glutaminase kidney isoform, mitochondrial	Homo sapiens	Potency		3162.3	nM	PubChem BioAssay data set
NPT477	Individual Protein	DNA dC->dU-editing enzyme APOBEC-3G	Homo sapiens	Potency		3548.1	nM	PubChem BioAssay data set
NPT242	Individual Protein	Dopamine D1 receptor	Homo sapiens	Potency		4610.9	nM	PubChem BioAssay data set
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency		5623.4	nM	PubChem BioAssay data set
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency		1995.3	nM	PubChem BioAssay data set
NPT622	Individual Protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	15	%	22541068
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	2.9	%	22541068
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	-0.2	%	22541068
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	26.96	%	23062825
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	1.3	%	23062825
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC90	=	16	ug/ml	23127490
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC90	=	8	ug/ml	23127490
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC90	=	2	ug/ml	23127490
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	16	ug/ml	23314053
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	8	ug/ml	23314053
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	23314053
NPT2	Others	Unspecified		Potency		580.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		819.9	nM	PubChem BioAssay data set
NPT920	Individual Protein	Alpha-synuclein	Homo sapiens	Potency		35481.3	nM	PubChem BioAssay data set
NPT920	Individual Protein	Alpha-synuclein	Homo sapiens	Potency		29092.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		EC50	=	930	nM	10.1039/C3MD00149K
NPT2	Others	Unspecified		EC50	=	890	nM	10.1039/C3MD00149K
NPT2	Others	Unspecified		EC50	=	1000	nM	10.1039/C3MD00149K
NPT2	Others	Unspecified		EC50	=	513000	nM	10.1039/C3MD00149K
NPT2	Others	Unspecified		Potency		1457.7	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency		11985.6	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency		18833.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		121805	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1310.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		51832	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		10590.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		33491.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2660.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6740	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		15089	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1835.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		31622.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		14125.4	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		819.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2984.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		8412.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1635.6	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency		163.6	nM	PubChem BioAssay data set
NPT104	Individual Protein	Cerebroside-sulfatase	Homo sapiens	Potency		21331.3	nM	PubChem BioAssay data set
NPT2970	Individual Protein	Fibrinogen beta chain	Homo sapiens	IC50		83135	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		26603.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21313.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		919.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6682.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2614.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11883.2	nM	PubChem BioAssay data set
NPT162	Individual Protein	Heat shock protein beta-1	Homo sapiens	Potency		5172.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		9520.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		10682.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2113.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1299.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		8912.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		580.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		5011.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1496	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency		2592.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1299.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21131.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		13333.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3162.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		25118.9	nM	PubChem BioAssay data set
NPT2970	Individual Protein	Fibrinogen beta chain	Homo sapiens	IC50		24165	nM	PubChem BioAssay data set
NPT2709	Organism	Bacillus subtilis subsp. subtilis str. 168	Bacillus subtilis subsp. subtilis str. 168	MIC	=	10000	nM	23539337
NPT983	Protein Complex	Nuclear factor NF-kappa-B complex	Homo sapiens	IC50	=	2000	nM	24775915
NPT2	Others	Unspecified		Potency		1168	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency		927.7	nM	PubChem BioAssay data set
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency		1310.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50		17782.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1470.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		4609	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		575.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2076.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3661.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		970.46	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6007	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		525.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		465	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		378.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		316.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		14575	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2933.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		1635.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		264.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		537.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		40000	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		349.8	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC46451 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	539
0.1-0.2	2345
0.2-0.3	9265
0.3-0.4	4091
0.4-0.5	10085
0.5-0.6	2966
0.6-0.7	1303
0.7-0.8	244
0.8-0.85	26
0.85-0.9	11
0.9-0.95	8
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9846	High Similarity	NPC100079
0.9846	High Similarity	NPC23614
0.9794	High Similarity	NPC235076
0.9641	High Similarity	NPC149471
0.9641	High Similarity	NPC271215
0.9588	High Similarity	NPC188420
0.9453	High Similarity	NPC118121
0.9254	High Similarity	NPC204446
0.9196	High Similarity	NPC171409
0.9196	High Similarity	NPC96405
0.91	High Similarity	NPC296482
0.91	High Similarity	NPC202768
0.91	High Similarity	NPC53069
0.9005	High Similarity	NPC251160
0.8945	High Similarity	NPC135549
0.8883	High Similarity	NPC31930
0.885	High Similarity	NPC313189
0.8832	High Similarity	NPC234197
0.8832	High Similarity	NPC477019
0.875	High Similarity	NPC16452
0.875	High Similarity	NPC476581
0.875	High Similarity	NPC36229
0.85	High Similarity	NPC476582
0.85	High Similarity	NPC476578
0.85	High Similarity	NPC4071
0.8454	Intermediate Similarity	NPC202605
0.8454	Intermediate Similarity	NPC112206
0.8384	Intermediate Similarity	NPC195268
0.8384	Intermediate Similarity	NPC133140
0.8349	Intermediate Similarity	NPC22481
0.8308	Intermediate Similarity	NPC179704
0.8295	Intermediate Similarity	NPC278525
0.8273	Intermediate Similarity	NPC108342
0.8235	Intermediate Similarity	NPC189903
0.8235	Intermediate Similarity	NPC182907
0.8227	Intermediate Similarity	NPC253675
0.8198	Intermediate Similarity	NPC166722
0.8182	Intermediate Similarity	NPC290689
0.8159	Intermediate Similarity	NPC302001
0.8154	Intermediate Similarity	NPC287588
0.8131	Intermediate Similarity	NPC204385
0.8102	Intermediate Similarity	NPC122463
0.8093	Intermediate Similarity	NPC174049
0.8081	Intermediate Similarity	NPC249405
0.8079	Intermediate Similarity	NPC162653
0.8044	Intermediate Similarity	NPC210296
0.802	Intermediate Similarity	NPC206201
0.8018	Intermediate Similarity	NPC210434
0.8018	Intermediate Similarity	NPC124313
0.8009	Intermediate Similarity	NPC84164
0.8009	Intermediate Similarity	NPC207283
0.7972	Intermediate Similarity	NPC208284
0.7921	Intermediate Similarity	NPC474904
0.7921	Intermediate Similarity	NPC312531
0.7883	Intermediate Similarity	NPC24019
0.787	Intermediate Similarity	NPC473513
0.7845	Intermediate Similarity	NPC183537
0.784	Intermediate Similarity	NPC470020
0.7835	Intermediate Similarity	NPC270515
0.7834	Intermediate Similarity	NPC473822
0.7826	Intermediate Similarity	NPC193906
0.7826	Intermediate Similarity	NPC23080
0.782	Intermediate Similarity	NPC304183
0.7814	Intermediate Similarity	NPC162530
0.7807	Intermediate Similarity	NPC217554
0.7799	Intermediate Similarity	NPC295676
0.7783	Intermediate Similarity	NPC284141
0.7778	Intermediate Similarity	NPC255800
0.7778	Intermediate Similarity	NPC96584
0.7768	Intermediate Similarity	NPC201508
0.7768	Intermediate Similarity	NPC77878
0.7752	Intermediate Similarity	NPC173080
0.7733	Intermediate Similarity	NPC233334
0.7719	Intermediate Similarity	NPC11408
0.7717	Intermediate Similarity	NPC148409
0.7703	Intermediate Similarity	NPC212163
0.7689	Intermediate Similarity	NPC156728
0.7689	Intermediate Similarity	NPC244606
0.7689	Intermediate Similarity	NPC285558
0.7688	Intermediate Similarity	NPC285941
0.7677	Intermediate Similarity	NPC312872
0.767	Intermediate Similarity	NPC280964
0.767	Intermediate Similarity	NPC114335
0.767	Intermediate Similarity	NPC141915
0.7668	Intermediate Similarity	NPC214980
0.7665	Intermediate Similarity	NPC90875
0.7661	Intermediate Similarity	NPC170114
0.765	Intermediate Similarity	NPC236668
0.765	Intermediate Similarity	NPC266931
0.7632	Intermediate Similarity	NPC295228
0.7619	Intermediate Similarity	NPC287437
0.7615	Intermediate Similarity	NPC470549
0.7615	Intermediate Similarity	NPC146976
0.7611	Intermediate Similarity	NPC476999
0.76	Intermediate Similarity	NPC476997
0.7598	Intermediate Similarity	NPC473183
0.7593	Intermediate Similarity	NPC11464
0.7583	Intermediate Similarity	NPC11017
0.7574	Intermediate Similarity	NPC190461
0.7566	Intermediate Similarity	NPC476996
0.7566	Intermediate Similarity	NPC476998
0.7559	Intermediate Similarity	NPC475774
0.7551	Intermediate Similarity	NPC24954
0.7524	Intermediate Similarity	NPC224928
0.7522	Intermediate Similarity	NPC476994
0.7521	Intermediate Similarity	NPC132385
0.7512	Intermediate Similarity	NPC123976
0.7512	Intermediate Similarity	NPC167860
0.7511	Intermediate Similarity	NPC470018
0.7511	Intermediate Similarity	NPC15406
0.7511	Intermediate Similarity	NPC200888
0.7511	Intermediate Similarity	NPC473184
0.75	Intermediate Similarity	NPC470931
0.7488	Intermediate Similarity	NPC323345
0.7488	Intermediate Similarity	NPC470164
0.7478	Intermediate Similarity	NPC74575
0.7467	Intermediate Similarity	NPC470889
0.7467	Intermediate Similarity	NPC473182
0.7465	Intermediate Similarity	NPC174672
0.7465	Intermediate Similarity	NPC174758
0.7444	Intermediate Similarity	NPC477533
0.7443	Intermediate Similarity	NPC316981
0.7434	Intermediate Similarity	NPC202503
0.7434	Intermediate Similarity	NPC227908
0.7427	Intermediate Similarity	NPC276674
0.7427	Intermediate Similarity	NPC33902
0.7422	Intermediate Similarity	NPC322482
0.7419	Intermediate Similarity	NPC82548
0.7411	Intermediate Similarity	NPC477559
0.7411	Intermediate Similarity	NPC266753
0.7411	Intermediate Similarity	NPC232924
0.7411	Intermediate Similarity	NPC160298
0.7411	Intermediate Similarity	NPC306902
0.7404	Intermediate Similarity	NPC296742
0.7401	Intermediate Similarity	NPC473185
0.74	Intermediate Similarity	NPC210918
0.7399	Intermediate Similarity	NPC213530
0.7399	Intermediate Similarity	NPC193267
0.7385	Intermediate Similarity	NPC201697
0.7383	Intermediate Similarity	NPC232727
0.7378	Intermediate Similarity	NPC280272
0.7373	Intermediate Similarity	NPC474595
0.7373	Intermediate Similarity	NPC193777
0.7371	Intermediate Similarity	NPC476995
0.7364	Intermediate Similarity	NPC94157
0.7364	Intermediate Similarity	NPC473180
0.7361	Intermediate Similarity	NPC137929
0.7361	Intermediate Similarity	NPC164374
0.7356	Intermediate Similarity	NPC320088
0.7356	Intermediate Similarity	NPC224293
0.735	Intermediate Similarity	NPC476432
0.735	Intermediate Similarity	NPC24264
0.7348	Intermediate Similarity	NPC49547
0.7346	Intermediate Similarity	NPC131017
0.7336	Intermediate Similarity	NPC176538
0.733	Intermediate Similarity	NPC474594
0.733	Intermediate Similarity	NPC478074
0.7328	Intermediate Similarity	NPC470017
0.7321	Intermediate Similarity	NPC112676
0.7313	Intermediate Similarity	NPC247389
0.7308	Intermediate Similarity	NPC69213
0.7306	Intermediate Similarity	NPC469589
0.7304	Intermediate Similarity	NPC475253
0.7302	Intermediate Similarity	NPC267423
0.73	Intermediate Similarity	NPC167546
0.73	Intermediate Similarity	NPC225774
0.73	Intermediate Similarity	NPC16805
0.73	Intermediate Similarity	NPC302527
0.7296	Intermediate Similarity	NPC470022
0.7293	Intermediate Similarity	NPC252251
0.7286	Intermediate Similarity	NPC92111
0.7284	Intermediate Similarity	NPC277351
0.7277	Intermediate Similarity	NPC99891
0.7273	Intermediate Similarity	NPC296527
0.7273	Intermediate Similarity	NPC199667
0.7269	Intermediate Similarity	NPC135887
0.7269	Intermediate Similarity	NPC199277
0.7265	Intermediate Similarity	NPC274982
0.7264	Intermediate Similarity	NPC219341
0.7256	Intermediate Similarity	NPC315957
0.7244	Intermediate Similarity	NPC17565
0.7243	Intermediate Similarity	NPC17677
0.7238	Intermediate Similarity	NPC76748
0.7235	Intermediate Similarity	NPC162484
0.723	Intermediate Similarity	NPC13880
0.723	Intermediate Similarity	NPC251090
0.723	Intermediate Similarity	NPC194967
0.7229	Intermediate Similarity	NPC477531
0.7228	Intermediate Similarity	NPC298979
0.7227	Intermediate Similarity	NPC185782
0.7227	Intermediate Similarity	NPC473181
0.7217	Intermediate Similarity	NPC78284
0.7217	Intermediate Similarity	NPC307963
0.7217	Intermediate Similarity	NPC314954
0.7214	Intermediate Similarity	NPC168409
0.7212	Intermediate Similarity	NPC86078
0.7208	Intermediate Similarity	NPC76079
0.7208	Intermediate Similarity	NPC26850
0.7207	Intermediate Similarity	NPC48353
0.7207	Intermediate Similarity	NPC26679

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC46451 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	328
0.1-0.2	714
0.2-0.3	990
0.3-0.4	1516
0.4-0.5	2695
0.5-0.6	2101
0.6-0.7	719
0.7-0.8	91
0.8-0.85	4
0.85-0.9	0
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD3763	Approved
0.91	High Similarity	NPD3816	Phase 1
0.91	High Similarity	NPD3815	Phase 1
0.8384	Intermediate Similarity	NPD3922	Approved
0.8384	Intermediate Similarity	NPD3924	Approved
0.8384	Intermediate Similarity	NPD3923	Approved
0.8384	Intermediate Similarity	NPD3921	Approved
0.7937	Intermediate Similarity	NPD6494	Phase 2
0.7828	Intermediate Similarity	NPD3920	Phase 2
0.7746	Intermediate Similarity	NPD5658	Approved
0.7706	Intermediate Similarity	NPD6230	Discontinued
0.7644	Intermediate Similarity	NPD7567	Approved
0.7604	Intermediate Similarity	NPD7069	Discontinued
0.7577	Intermediate Similarity	NPD4885	Approved
0.757	Intermediate Similarity	NPD5530	Phase 1
0.7561	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7553	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD7222	Phase 2
0.7512	Intermediate Similarity	NPD4418	Discontinued
0.7488	Intermediate Similarity	NPD6281	Approved
0.7488	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD7555	Discontinued
0.7442	Intermediate Similarity	NPD4795	Phase 2
0.7435	Intermediate Similarity	NPD6964	Approved
0.7435	Intermediate Similarity	NPD6963	Approved
0.743	Intermediate Similarity	NPD6975	Discontinued
0.7409	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD7558	Phase 2
0.7366	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD5902	Approved
0.7297	Intermediate Similarity	NPD5903	Approved
0.7295	Intermediate Similarity	NPD4889	Approved
0.7295	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD7453	Approved
0.7294	Intermediate Similarity	NPD7452	Approved
0.7289	Intermediate Similarity	NPD5930	Phase 3
0.7281	Intermediate Similarity	NPD7675	Phase 3
0.7281	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7281	Intermediate Similarity	NPD7674	Phase 3
0.7269	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD1740	Approved
0.7256	Intermediate Similarity	NPD1739	Approved
0.7251	Intermediate Similarity	NPD6569	Phase 2
0.7243	Intermediate Similarity	NPD8091	Phase 3
0.7241	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD7719	Discontinued
0.7234	Intermediate Similarity	NPD8016	Phase 3
0.7234	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD1038	Approved
0.7217	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD5612	Discontinued
0.7182	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6219	Discontinued
0.7173	Intermediate Similarity	NPD6517	Phase 3
0.7172	Intermediate Similarity	NPD7169	Suspended
0.7143	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD5429	Discontinued
0.7131	Intermediate Similarity	NPD6790	Phase 1
0.713	Intermediate Similarity	NPD7426	Phase 1
0.713	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD32	Approved
0.7123	Intermediate Similarity	NPD4036	Approved
0.7123	Intermediate Similarity	NPD4033	Approved
0.7123	Intermediate Similarity	NPD4035	Approved
0.7123	Intermediate Similarity	NPD4038	Approved
0.7123	Intermediate Similarity	NPD4122	Approved
0.7123	Intermediate Similarity	NPD31	Approved
0.7123	Intermediate Similarity	NPD4037	Approved
0.7123	Intermediate Similarity	NPD4034	Approved
0.7123	Intermediate Similarity	NPD4039	Approved
0.7112	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD4859	Phase 1
0.7103	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD4876	Phase 3
0.7101	Intermediate Similarity	NPD4875	Phase 3
0.7083	Intermediate Similarity	NPD5488	Discontinued
0.7078	Intermediate Similarity	NPD7859	Phase 2
0.707	Intermediate Similarity	NPD3477	Phase 2
0.707	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD3397	Phase 2
0.7042	Intermediate Similarity	NPD2334	Discontinued
0.7027	Intermediate Similarity	NPD2739	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD7672	Approved
0.7027	Intermediate Similarity	NPD7671	Approved
0.7016	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD2060	Approved
0.7012	Intermediate Similarity	NPD8100	Phase 3
0.7009	Intermediate Similarity	NPD4996	Approved
0.7009	Intermediate Similarity	NPD4502	Phase 2
0.7009	Intermediate Similarity	NPD4995	Approved
0.7004	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1954	Phase 1
0.6996	Remote Similarity	NPD6243	Phase 3
0.6996	Remote Similarity	NPD6244	Phase 3
0.6987	Remote Similarity	NPD7417	Discontinued
0.6986	Remote Similarity	NPD3386	Phase 2
0.6983	Remote Similarity	NPD8358	Approved
0.6982	Remote Similarity	NPD1392	Approved
0.6977	Remote Similarity	NPD4551	Phase 2
0.6974	Remote Similarity	NPD6568	Discontinued
0.6974	Remote Similarity	NPD3354	Phase 2
0.6974	Remote Similarity	NPD7395	Discontinued
0.6972	Remote Similarity	NPD3825	Phase 3
0.6966	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD4925	Approved
0.6961	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD5944	Phase 1
0.6947	Remote Similarity	NPD5945	Phase 1
0.6946	Remote Similarity	NPD2780	Approved
0.6946	Remote Similarity	NPD2782	Approved
0.6944	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD7194	Discontinued
0.6941	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD3003	Approved
0.6935	Remote Similarity	NPD7955	Approved
0.6935	Remote Similarity	NPD7956	Approved
0.6933	Remote Similarity	NPD5067	Phase 2
0.6933	Remote Similarity	NPD5066	Phase 2
0.693	Remote Similarity	NPD5164	Discontinued
0.6926	Remote Similarity	NPD1856	Discontinued
0.6926	Remote Similarity	NPD8101	Phase 3
0.6923	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.692	Remote Similarity	NPD4437	Phase 3
0.6913	Remote Similarity	NPD6242	Discontinued
0.6905	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.69	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD6716	Phase 1
0.6883	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD7948	Phase 1
0.688	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD2781	Approved
0.6878	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD5905	Phase 1
0.6872	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD5601	Phase 2
0.6861	Remote Similarity	NPD6150	Discontinued
0.6857	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD4375	Approved
0.6852	Remote Similarity	NPD4372	Phase 1
0.6849	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD6991	Approved
0.6844	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.684	Remote Similarity	NPD6228	Discontinued
0.6838	Remote Similarity	NPD7050	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD7051	Phase 3
0.6827	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4203	Approved
0.6825	Remote Similarity	NPD4204	Approved
0.6822	Remote Similarity	NPD6968	Phase 2
0.6822	Remote Similarity	NPD6969	Phase 2
0.6822	Remote Similarity	NPD1900	Clinical (unspecified phase)
0.682	Remote Similarity	NPD802	Phase 2
0.682	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD3837	Clinical (unspecified phase)
0.681	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6298	Discontinued
0.6809	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5529	Phase 1
0.68	Remote Similarity	NPD2187	Approved
0.68	Remote Similarity	NPD2189	Approved
0.68	Remote Similarity	NPD5528	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD6216	Approved
0.6798	Remote Similarity	NPD7803	Approved
0.6787	Remote Similarity	NPD8244	Phase 2
0.6784	Remote Similarity	NPD5936	Approved
0.6784	Remote Similarity	NPD5939	Approved
0.6784	Remote Similarity	NPD4131	Phase 3
0.6781	Remote Similarity	NPD7221	Approved
0.6781	Remote Similarity	NPD7219	Approved
0.678	Remote Similarity	NPD5559	Phase 2
0.6776	Remote Similarity	NPD4920	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD4919	Phase 3
0.6776	Remote Similarity	NPD4921	Phase 3
0.6773	Remote Similarity	NPD7708	Approved
0.6768	Remote Similarity	NPD4584	Approved
0.6763	Remote Similarity	NPD4724	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD5459	Phase 2
0.6758	Remote Similarity	NPD6550	Discontinued
0.6753	Remote Similarity	NPD6985	Discontinued
0.675	Remote Similarity	NPD5891	Approved
0.6749	Remote Similarity	NPD6473	Phase 1
0.6747	Remote Similarity	NPD8442	Discontinued
0.6743	Remote Similarity	NPD6361	Phase 2
0.6742	Remote Similarity	NPD4548	Discontinued
0.6742	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD7112	Discontinued
0.6739	Remote Similarity	NPD6147	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD5507	Approved

Structure

CID46451 OpenBabel06191715382D 25 30 0 0 0 0 0 0 0 0999 V2000 -4.2459 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 -4.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -4.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -3.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 -4.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 -2.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 -4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 -2.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -3.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 -3.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -1.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 -4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 -3.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 -2.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -1.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -1.9496 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8446 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8418 -4.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8418 -3.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 16 1 0 0 0 0 6 11 2 0 0 0 0 6 17 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 15 2 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 19 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 20 25 1 0 0 0 0 M CHG 1 21 1 M END $$$$

External Identifiers

PubChem CID	5154
ChEMBL	CHEMBL417799
ZINC

Physicochemical Properties

Molecular Weight:	332.09
ALogP:	-1.947
MLogP:	3.11
XLogP:	3.297
# Rotatable Bonds:	1
Polar Surface Area:	40.8
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	25

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