NPASS Natural Product

Natural Product: NPC62290

Natural Product ID:	NPC62290
Common Name:	Dihydrokaempferol
IUPAC Name:	(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Synonyms:
Molecular Formula:	C15H12O6
Standard InCHIKey:	PADQINQHPQKXNL-LSDHHAIUSA-N
Standard InCHI:	InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
Canonical SMILES:	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO30804	Cudrania tricuspidata	Species	Moraceae	Eukaryota	Root barks	Purchased from the local herbal market, Chungbuk, Korea	2012-JUL	PMID[26227773]
NPO10917	Junceella gemmacea	Species	Ellisellidae	Eukaryota				UNPD*
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota				TM-MC*
NPO12169	Ranunculus peltatus	Species	Ranunculaceae	Eukaryota				UNPD*
NPO26881	Croton zehntneri	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO11323	Siphonochilus aethiopicus	Species	Zingiberaceae	Eukaryota				UNPD*
NPO15643	Asterias nipon	Species	Asteriidae	Eukaryota				UNPD*
NPO901	Flourensia ilicifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO19168	Solidago flexicaulis	Species	Asteraceae	Eukaryota				UNPD*
NPO29118	Euonymus alatus	Species	Celastraceae	Eukaryota				TM-MC*
NPO23610	Aconitum tianschanicum	Species	Ranunculaceae	Eukaryota				UNPD*
NPO15786	Umbilicaria esculenta	Species	Umbilicariaceae	Eukaryota				UNPD*
NPO20998	Machaerium kuhlmannii	Species	Dolichopodidae	Eukaryota				UNPD*
NPO25546	Eucalyptus occidentalis	Species	Myrtaceae	Eukaryota				UNPD*
NPO26656	Heliotropium hirsutissimum	Species	Heliotropiaceae	Eukaryota				UNPD*
NPO19535	Senecio zoellneri	Species	Asteraceae	Eukaryota				UNPD*
NPO7631	Gleditsia japonica	Species	Fabaceae	Eukaryota				TM-MC*
NPO738	Dahlstedtia pentaphylla	Species	Fabaceae	Eukaryota				UNPD*
NPO18599	Pangium edule	Species	Achariaceae	Eukaryota				UNPD*
NPO12284	Hydrangea serrata	Species	Hydrangeaceae	Eukaryota				UNPD*
NPO24249	Codonopsis cordifolioidea	Species	Campanulaceae	Eukaryota				UNPD*
NPO15505	Albizia gummifera	Species	Fabaceae	Eukaryota				UNPD*
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota				UNPD*
NPO20608	Gleditsia sinensis	Species	Fabaceae	Eukaryota				TM-MC*
NPO25204	Millettia thonningii	Species	Fabaceae	Eukaryota				UNPD*
NPO26559	Glycine soja	Species	Fabaceae	Eukaryota				UNPD*
NPO16978	Entada phaseoloides	Species	Fabaceae	Eukaryota				UNPD*
NPO24639	Streptomyces filamentosus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO1646	Balsamorhiza hookeri	Species	Asteraceae	Eukaryota				UNPD*
NPO23834	Chlamydomonas allensworthii	Species	Chlamydomonadaceae	Eukaryota				UNPD*
NPO23899	Rosulabryum capillare	Species	Bryaceae	Eukaryota				UNPD*
NPO8842	Neurymenia fraxinifolia	Species	Rhodomelaceae	Eukaryota				UNPD*
NPO25342	Veronica virginica	Species	Plantaginaceae	Eukaryota				UNPD*
NPO24290	Claviceps microcephala	Species	Clavicipitaceae	Eukaryota				UNPD*
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota				UNPD*
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota				UNPD*
NPO25224	Maytenus retusa	Species	Celastraceae	Eukaryota				UNPD*
NPO21565	Ceramaster patagonicus	Species	Goniasteridae	Eukaryota				UNPD*
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota				TM-MC*
NPO17737	Lepidorhinus squamosus	NA	NA	NA				UNPD*
NPO24856	Calea subcordata	Species	Asteraceae	Eukaryota				UNPD*
NPO15385	Achillea lycaonica	Species	Asteraceae	Eukaryota				UNPD*
NPO21827	Albatrellus caeruleoporus	Species	Albatrellaceae	Eukaryota				UNPD*
NPO21187	Leucanthemopsis pallida	Species	Asteraceae	Eukaryota				UNPD*
NPO31111	Ampelopsis brevipedunculata	Species	Vitaceae	Eukaryota				TCM_Taiwan*
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota				TM-MC*
NPO7627	Fumaria micrantha	Species	Papaveraceae	Eukaryota				UNPD*
NPO6422	Aldina heterophylla	Species	Fabaceae	Eukaryota				UNPD*
NPO17894	Rhus vulgaris	Species	Anacardiaceae	Eukaryota				UNPD*
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota				UNPD*
NPO31111	Ampelopsis brevipedunculata	Species	Vitaceae	Eukaryota				HerDing*
NPO277	Caulis millettiae	NA	NA	NA				TCMID*
NPO16316	Cylindrospermum muscicola	Species	Nostocaceae	Bacteria				UNPD*
NPO19766	Viguiera linearis	Species	Asteraceae	Eukaryota				UNPD*
NPO11106	Nothofagus dombeyi	Species	Nothofagaceae	Eukaryota				UNPD*
NPO7794	Vatica albiramis	Species	Dipterocarpaceae	Eukaryota				UNPD*
NPO4910	Lepidosperma ustulatum	Species	Cyperaceae	Eukaryota				UNPD*
NPO3648	Pittocaulon velatum	Species	Asteraceae	Eukaryota	Stems			PMID[21661732]
NPO2340	Caulis spatholobi	NA	NA	NA				TCMID*
NPO23961	Scytonema ocellatum	Species	Scytonemataceae	Bacteria				UNPD*
NPO17222	Hesperis matronalis	Species	Brassicaceae	Eukaryota				UNPD*
NPO13727	Hemionitis japonica	Species	Pteridaceae	Eukaryota				UNPD*
NPO7949	Pterodon emarginatus	Species	Fabaceae	Eukaryota				UNPD*
NPO18925	Artemisia rehan	Species	Asteraceae	Eukaryota				UNPD*
NPO3648	Pittocaulon velatum	Species	Asteraceae	Eukaryota	Root			PMID[21661732]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota				TCMID*
NPO23792	Gomphostemma parviflorum	Species	Lamiaceae	Eukaryota				UNPD*
NPO26531	Aeschrion excelsa	NA	NA	NA				UNPD*
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota				UNPD*
NPO15875	Scolopia chinensis	Species	Salicaceae	Eukaryota				UNPD*
NPO25103	Stauranthus perforatus	NA	NA	NA				UNPD*
NPO23364	Lambertella corni	Species	Rutstroemiaceae	Eukaryota				UNPD*
NPO5271.1	Ampelopsis glandulosa var. brevipedunculata	Varieties	Vitaceae	Eukaryota				TCMID*
NPO11223	Pleurotus japonicus	Species	Pleurotaceae	Eukaryota				UNPD*
NPO22595	Trapa bicornis	Species	Lythraceae	Eukaryota				UNPD*
NPO23211	Xyris indica	Species	Xyridaceae	Eukaryota				UNPD*
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria				UNPD*
NPO9640	Dinophysis fortii	Species	Dinophysiaceae	Eukaryota				UNPD*
NPO23545	Vellozia streptophylla	Species	Velloziaceae	Eukaryota				UNPD*
NPO16776	Euphorbia amygdaloides	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO24005	Mytilus galloprovincialis	Species	Mytilidae	Eukaryota				UNPD*
NPO26403	Brachymeris montana	NA	NA	NA				UNPD*
NPO15119	Aphis graminum	Species	Aphididae	Eukaryota				UNPD*
NPO12864	Trogoderma granarium	Species	Dermestidae	Eukaryota				UNPD*
NPO6572	Dunalia solanacea	Species	Solanaceae	Eukaryota				UNPD*
NPO11612	Protea roupelliae	Species	Proteaceae	Eukaryota				UNPD*
NPO13344	Helichrysum cephaloideum	Species	Asteraceae	Eukaryota				UNPD*
NPO11910	Peltogyne pubescens	Species	Fabaceae	Eukaryota				UNPD*
NPO21458	Radix paeoniae rubra	Species	Lymnaeidae	Eukaryota				TCMID*
NPO17056	Ligularia anoleuca	Species	Asteraceae	Eukaryota				UNPD*
NPO18447	Papaver tatricum	Species	Papaveraceae	Eukaryota				UNPD*
NPO16421	Chalciporus piperatus	Species	Boletaceae	Eukaryota				UNPD*
NPO8593	Zygosaccharomyces rouxii	Species	Saccharomycetaceae	Eukaryota				UNPD*
NPO24219	Erylus nobilis	Species	Geodiidae	Eukaryota				UNPD*
NPO24019	Sapindus emarginatus	Species	Sapindaceae	Eukaryota				UNPD*
NPO23712	Gardenia lucida	Species	Rubiaceae	Eukaryota				UNPD*
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota				UNPD*
NPO29193	Nekemias grossedentata	Species	Vitaceae	Eukaryota				TCMID*
NPO5279	Canarium commune	Species	Strombidae	Eukaryota				UNPD*
NPO22860	Veronica orientalis	Species	Plantaginaceae	Eukaryota				UNPD*
NPO10546	Allagopappus viscosissimus	Species	Asteraceae	Eukaryota				UNPD*
NPO17675	Andira inermis	Species	Fabaceae	Eukaryota				UNPD*
NPO8080	Sarcophyton elegans	Species	Alcyoniidae	Eukaryota				UNPD*
NPO26532	Gmelina asiatica	Species	Lamiaceae	Eukaryota				UNPD*
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota				UNPD*
NPO3311	Diplacus longiflorus	Species	Phrymaceae	Eukaryota				UNPD*
NPO11534	Astragalus spinosus	Species	Fabaceae	Eukaryota				UNPD*
NPO14214	Sedum obtuso-lineare	Species	Crassulaceae	Eukaryota				UNPD*
NPO14715	Trollius chinensis	Species	Ranunculaceae	Eukaryota				UNPD*
NPO26768	Lichtheimia blakesleeana	Species	Lichtheimiaceae	Eukaryota				UNPD*
NPO18041	Cladrastis platycarpa	Species	Fabaceae	Eukaryota				UNPD*
NPO27288	Citrus maxima	Species	Rutaceae	Eukaryota				UNPD*
NPO21361	Anastatica hierochuntica	Species	Brassicaceae	Eukaryota				PMID[12643908]
NPO2354	Rhizobium leguminosarum	Species	Rhizobiaceae	Bacteria				UNPD*
NPO16043	Centaurea musimomum	Species	Asteraceae	Eukaryota				UNPD*
NPO14249	Diplodia natalensis	Species	Botryosphaeriaceae	Eukaryota				UNPD*
NPO8398	Cymodocea nodosa	Species	Cymodoceaceae	Eukaryota				UNPD*
NPO24408	Ariocarpus fissuratus	Species	Cactaceae	Eukaryota				UNPD*
NPO23459	Onoseris alata	Species	Asteraceae	Eukaryota				UNPD*
NPO23982	Ventilago leiocarpa	Species	Rhamnaceae	Eukaryota				PMID[11374975]
NPO18260	Eremanthus seidelii	Species	Asteraceae	Eukaryota				UNPD*
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota				UNPD*
NPO24432	Oxylobus oaxacanus	NA	NA	NA				UNPD*
NPO12860	Clione antarctica	Species	Clionidae	Eukaryota				UNPD*
NPO15538	Corymbia citriodora	Species	Myrtaceae	Eukaryota				UNPD*
NPO19010	Elephantopus hirtiflorus	Species	Asteraceae	Eukaryota				UNPD*
NPO5495	Broussonetia papyrifera	Species	Moraceae	Eukaryota	Whole Plants	Shawnee National Forest, Harrisburg, IL, US		PMID[11678652]
NPO4061	Trollius europaeus	Species	Ranunculaceae	Eukaryota				UNPD*
NPO2561	Capnella erecta	Species	Nephtheidae	Eukaryota				UNPD*
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota				UNPD*
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota				UNPD*
NPO4843	Gossampiniflos	NA	NA	NA				TCMSP*
NPO24048	Cladonia pityrea	Species	Cladoniaceae	Eukaryota				UNPD*
NPO23911	Alpinia officinarum	Species	Zingiberaceae	Eukaryota	Rhizomes			PMID[19615910]
NPO24901	Ochna obtusata	Species	Ochnaceae	Eukaryota				UNPD*
NPO19631	Aphis pini	Species	Aphididae	Eukaryota				UNPD*
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota				UNPD*
NPO24132	Euphausia superba	Species	Euphausiidae	Eukaryota				UNPD*
NPO914	Smilacis glabrae rhixoma	NA	NA	NA				TCMSP*
NPO23884	Hippobroma longiflora	Species	Campanulaceae	Eukaryota				UNPD*
NPO21361	Anastatica hierochuntica	Species	Brassicaceae	Eukaryota				PMID[20189399]
NPO18672	Senecio adenophyllus	Species	Asteraceae	Eukaryota				UNPD*
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota				UNPD*
NPO22143	Genista sessilifolia	Species	Fabaceae	Eukaryota				UNPD*
NPO6822	Aristotelia australasica	Species	Elaeocarpaceae	Eukaryota				UNPD*
NPO9888	Lobophytum laevigatum	Species	Alcyoniidae	Eukaryota				UNPD*
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota				TCMSP*
NPO22636	Sterculia foetida	Species	Malvaceae	Eukaryota				UNPD*
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota				UNPD*
NPO19832	Gambierdiscus toxicus	Species	Goniodomataceae	Eukaryota				UNPD*
NPO15481	Hypericum balearicum	Species	Hypericaceae	Eukaryota				UNPD*
NPO28952	Sapium haematospermum	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO12429	Acicarpha tribuloides	Species	Calyceraceae	Eukaryota				UNPD*
NPO9009	Atuna racemosa	Species	Chrysobalanaceae	Eukaryota				UNPD*
NPO29548	Polygoni orientalis fructus	NA	NA	NA				TCMSP*
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota				UNPD*
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria				UNPD*
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota				UNPD*
NPO19706	Polyzonium rosalbum	Species	Polyzoniidae	Eukaryota				UNPD*
NPO12109	Cyathocline lyrata	Species	Asteraceae	Eukaryota				UNPD*
NPO18345	Phora velutina	Species	Phoridae	Eukaryota				UNPD*
NPO12513	Ephedrae radix et rhizoma	NA	NA	NA				TCMSP*
NPO8308	Bryocaulon pseudosatoanum	Species	Parmeliaceae	Eukaryota				UNPD*
NPO23043	Cryptolestes pusillus	Species	Laemophloeidae	Eukaryota				UNPD*
NPO2565	Aglaia australiensis	Species	Meliaceae	Eukaryota				UNPD*
NPO19240	Ligularia cymbulifera	Species	Asteraceae	Eukaryota				UNPD*
NPO4967	Pedicularis decora	Species	Orobanchaceae	Eukaryota				UNPD*
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota				UNPD*
NPO20061	Hoveniae dulcis semen	NA	NA	NA				TCMSP*
NPO9226	Astragalus pycnanthus	Species	Fabaceae	Eukaryota				UNPD*
NPO12152	Nicotiana raimondii	Species	Solanaceae	Eukaryota				UNPD*
NPO19086	Nematolepis phebalioides	Species	Rutaceae	Eukaryota				UNPD*
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota				UNPD*
NPO11059	Callicarpa japonica	Species	Lamiaceae	Eukaryota				UNPD*
NPO11127	Inulanthera calva	Species	Asteraceae	Eukaryota				UNPD*
NPO1334	Senegalia catechu	Species	Fabaceae	Eukaryota				TM-MC*
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota				UNPD*
NPO7011	Chamomilla recutita	NA	NA	NA				UNPD*
NPO17475	Thermococcus kodakarensis	Species	Thermococcaceae	Archaea				UNPD*
NPO18422	Stizolobium deeringianum	NA	NA	NA				UNPD*
NPO23739	Staehelina fruticosa	Species	Asteraceae	Eukaryota				UNPD*
NPO16132	Bryum argenteum	Species	Bryaceae	Eukaryota				UNPD*
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota				UNPD*
NPO18163	Aulosira fertilissima	Species	Fortieaceae	Bacteria				UNPD*
NPO18976	Centaurea arbutifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO22324	Erium villosum	Species	Pseudococcidae	Eukaryota				UNPD*
NPO17350	Jatropha macrorhiza	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO23696	Solanum diflorum	Species	Solanaceae	Eukaryota				UNPD*
NPO4499	Aglaia formosana	Species	Meliaceae	Eukaryota				UNPD*
NPO23318	Aconitum palmatum	Species	Ranunculaceae	Eukaryota				UNPD*
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota				UNPD*
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota				UNPD*
NPO17490	Trichophyton mentagrophytes	Species	Arthrodermataceae	Eukaryota				UNPD*
NPO12229	Woodwardia prolifera	Species	Blechnaceae	Eukaryota				UNPD*
NPO20526	Menispermum dauricum	Species	Menispermaceae	Eukaryota				UNPD*
NPO11083	Avrainvillea longicaulis	Species	Udoteaceae	Eukaryota				UNPD*
NPO15437	Aspergillus desertorum	Species	Aspergillaceae	Eukaryota				UNPD*
NPO3658	Achillea pseudopectinata	Species	Asteraceae	Eukaryota				UNPD*
NPO546	Candida albicans	Species	Debaryomycetaceae	Eukaryota				UNPD*
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota				UNPD*
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota				UNPD*
NPO18839	Lilium umbellatum	Species	Liliaceae	Eukaryota				UNPD*
NPO9830	Arum maximum	Species	Araceae	Eukaryota				UNPD*
NPO23114	Cacalia robusta	Species	Asteraceae	Eukaryota				UNPD*
NPO19370	Coprosma areolata	Species	Rubiaceae	Eukaryota				UNPD*
NPO15135	Pleuronectes cynoglossus	Species	Pleuronectidae	Eukaryota				UNPD*
NPO21660	Magnolia montana	Species	Magnoliaceae	Eukaryota				UNPD*
NPO23413	Crematogaster africana	Species	Formicidae	Eukaryota				UNPD*
NPO19306	Cortinarius orellanus	Species	Cortinariaceae	Eukaryota				UNPD*
NPO19571	Oreopteris quelpaertensis	Species	Thelypteridaceae	Eukaryota				UNPD*
NPO13127	Vallaris heynei	Species	Apocynaceae	Eukaryota				UNPD*
NPO15439	Iyengaria stellata	Species	Scytosiphonaceae	Eukaryota				UNPD*
NPO9274	Acripeza reticulata	NA	NA	NA				UNPD*
NPO10311	Lippia citriodora	Species	Verbenaceae	Eukaryota				UNPD*
NPO8006	Berlinia tomentosa	Species	Fabaceae	Eukaryota				UNPD*
NPO24445	Arbacia pustulosa	Species	Arbaciidae	Eukaryota				UNPD*
NPO5782	Aniba rosaeodora	Species	Lauraceae	Eukaryota				UNPD*
NPO23920	Amanita pseudoporphyria	Species	Amanitaceae	Eukaryota				UNPD*
NPO26722	Dorstenia dinklagei	Species	Moraceae	Eukaryota				UNPD*
NPO17749	Jackiella javanica	Species	Jackiellaceae	Eukaryota				UNPD*
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
EC50	2
IC50	14
Others	32
Potency	2

Activity Type	# Activity
Cell Line	10
Individual Protein	14
Organism	5
Others	21

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	0	%	12643908
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	7.8	%	12643908
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	14.2	%	12643908
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	33.2	%	12643908
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	Inhibition	=	66.9	%	3379415
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	IC50	=	93800	nM	3379415
NPT1306	Cell Line	WISH	Homo sapiens	IC50	>	100000	nM	11374975
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	100000	nM	11374975
NPT80	Cell Line	Raji	Homo sapiens	IC50	>	100000	nM	11374975
NPT111	Cell Line	K562	Homo sapiens	IC50	>	100000	nM	11374975
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	100000	nM	11374975
NPT1307	Cell Line	Calu-1	Homo sapiens	IC50	>	100000	nM	11374975
NPT441	Individual Protein	Cytochrome P450 19A1	Homo sapiens	IC50	>	40	ug/ml	11678652
NPT2566	Organism	Coniophora puteana	Coniophora puteana	IZ	=	10	mm	10.1021/np50040a007
NPT2	Others	Unspecified		Inhibition	=	8.7	%	19615910
NPT2	Others	Unspecified		Inhibition	=	1.2	%	19615910
NPT2	Others	Unspecified		Inhibition	=	12.7	%	19615910
NPT2	Others	Unspecified		Inhibition	=	20.5	%	19615910
NPT2	Others	Unspecified		Inhibition	=	56	%	19615910
NPT319	Cell Line	B16	Mus musculus	IC50	=	84000	nM	19615910
NPT2	Others	Unspecified		Inhibition	=	0.2	%	19615910
NPT2	Others	Unspecified		Inhibition	=	5.9	%	19615910
NPT2	Others	Unspecified		Inhibition	=	13.8	%	19615910
NPT2	Others	Unspecified		Inhibition	=	23.9	%	19615910
NPT2	Others	Unspecified		Inhibition	=	30.5	%	19615910
NPT2	Others	Unspecified		IC50	>	100000	nM	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	6	%	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	4.4	%	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	6.3	%	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	7.9	%	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	21	%	19615910
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	IC50	>	100000	nM	19615910
NPT2	Others	Unspecified		IC50	=	153100	nM	20045650
NPT2	Others	Unspecified		Inhibition	=	6	%	20189399
NPT2	Others	Unspecified		Inhibition	=	14.4	%	20189399
NPT2	Others	Unspecified		Inhibition	=	-5.2	%	20189399
NPT2	Others	Unspecified		Inhibition	=	7	%	20189399
NPT2	Others	Unspecified		Activity	=	1.39	MU	19944611
NPT1	Others	Radical scavenging activity		EC50	>	100	ug	21821414
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency		2511.9	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		819.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Activity	=	6.83	%	23137376
NPT2	Others	Unspecified		Activity	=	9.38	%	23137376
NPT114	Cell Line	LoVo	Homo sapiens	Activity	=	10.02	%	23137376
NPT114	Cell Line	LoVo	Homo sapiens	Activity	=	10.96	%	23137376
NPT1650	Individual Protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	IC50	>	10000	nM	23411073
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	IC50	>	100000	nM	26227773
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	Inhibition	=	10.8	%	26227773
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	<	10	%	26481151
NPT1	Others	Radical scavenging activity		EC50	>	100000	nM	26481151

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 NPC62290 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	300
0.1-0.2	1097
0.2-0.3	2575
0.3-0.4	6287
0.4-0.5	6787
0.5-0.6	2726
0.6-0.7	3962
0.7-0.8	3911
0.8-0.85	1592
0.85-0.9	1258
0.9-0.95	355
0.95-1	39

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC279417
1.0	High Similarity	NPC142731
1.0	High Similarity	NPC4152
1.0	High Similarity	NPC306607
1.0	High Similarity	NPC208176
1.0	High Similarity	NPC326506
1.0	High Similarity	NPC49130
0.9928	High Similarity	NPC1940
0.9928	High Similarity	NPC148011
0.9857	High Similarity	NPC476182
0.9857	High Similarity	NPC211466
0.9857	High Similarity	NPC176869
0.9857	High Similarity	NPC40086
0.9857	High Similarity	NPC44721
0.9857	High Similarity	NPC3779
0.9857	High Similarity	NPC122828
0.9787	High Similarity	NPC218569
0.9716	High Similarity	NPC21835
0.9645	High Similarity	NPC229190
0.964	High Similarity	NPC150023
0.9583	High Similarity	NPC262039
0.9583	High Similarity	NPC278476
0.9583	High Similarity	NPC262038
0.9583	High Similarity	NPC254412
0.9583	High Similarity	NPC319910
0.9577	High Similarity	NPC472918
0.9517	High Similarity	NPC243171
0.9517	High Similarity	NPC138288
0.9517	High Similarity	NPC61506
0.9517	High Similarity	NPC260491
0.9517	High Similarity	NPC240476
0.9517	High Similarity	NPC171651
0.9517	High Similarity	NPC35567
0.9517	High Similarity	NPC216035
0.9517	High Similarity	NPC9743
0.9517	High Similarity	NPC36835
0.9517	High Similarity	NPC217149
0.9517	High Similarity	NPC246162
0.9514	High Similarity	NPC105136
0.9493	High Similarity	NPC12296
0.9493	High Similarity	NPC243083
0.9493	High Similarity	NPC32441
0.9493	High Similarity	NPC287246
0.9493	High Similarity	NPC13768
0.9493	High Similarity	NPC295261
0.9493	High Similarity	NPC296490
0.9493	High Similarity	NPC107586
0.9493	High Similarity	NPC79943
0.9452	High Similarity	NPC325028
0.9452	High Similarity	NPC27532
0.9452	High Similarity	NPC244250
0.9452	High Similarity	NPC246328
0.9452	High Similarity	NPC256346
0.9452	High Similarity	NPC20907
0.9452	High Similarity	NPC293286
0.9452	High Similarity	NPC268193
0.9444	High Similarity	NPC277032
0.9444	High Similarity	NPC477941
0.9424	High Similarity	NPC147686
0.9424	High Similarity	NPC329225
0.9424	High Similarity	NPC472460
0.9388	High Similarity	NPC111341
0.9388	High Similarity	NPC48579
0.9388	High Similarity	NPC207809
0.9388	High Similarity	NPC304207
0.9388	High Similarity	NPC304745
0.9388	High Similarity	NPC259710
0.9388	High Similarity	NPC217706
0.9384	High Similarity	NPC19721
0.9379	High Similarity	NPC267117
0.9357	High Similarity	NPC310135
0.9357	High Similarity	NPC274784
0.9357	High Similarity	NPC329203
0.9357	High Similarity	NPC20709
0.9357	High Similarity	NPC265871
0.9357	High Similarity	NPC222342
0.9357	High Similarity	NPC150648
0.9357	High Similarity	NPC225153
0.9353	High Similarity	NPC476480
0.9353	High Similarity	NPC84585
0.9353	High Similarity	NPC287068
0.9324	High Similarity	NPC320825
0.9324	High Similarity	NPC10754
0.9324	High Similarity	NPC201837
0.9324	High Similarity	NPC20530
0.9324	High Similarity	NPC215917
0.9324	High Similarity	NPC326037
0.9324	High Similarity	NPC13858
0.932	High Similarity	NPC203080
0.932	High Similarity	NPC180301
0.932	High Similarity	NPC248793
0.9315	High Similarity	NPC209846
0.9315	High Similarity	NPC471677
0.9315	High Similarity	NPC471229
0.9315	High Similarity	NPC472422
0.9315	High Similarity	NPC472420
0.9315	High Similarity	NPC471676
0.9315	High Similarity	NPC328740
0.9315	High Similarity	NPC263384
0.9315	High Similarity	NPC289774
0.9315	High Similarity	NPC295650
0.9315	High Similarity	NPC477897
0.9315	High Similarity	NPC244577
0.931	High Similarity	NPC472628
0.9306	High Similarity	NPC472627
0.9291	High Similarity	NPC6407
0.9291	High Similarity	NPC110228
0.9291	High Similarity	NPC188243
0.9291	High Similarity	NPC182421
0.9286	High Similarity	NPC118813
0.9281	High Similarity	NPC187432
0.9281	High Similarity	NPC256042
0.9281	High Similarity	NPC281917
0.9281	High Similarity	NPC116775
0.9281	High Similarity	NPC216361
0.9262	High Similarity	NPC52530
0.9262	High Similarity	NPC6985
0.9252	High Similarity	NPC475790
0.9252	High Similarity	NPC259182
0.9252	High Similarity	NPC121001
0.9252	High Similarity	NPC210597
0.9252	High Similarity	NPC150123
0.9252	High Similarity	NPC244583
0.9252	High Similarity	NPC10807
0.9252	High Similarity	NPC161881
0.9252	High Similarity	NPC56232
0.9241	High Similarity	NPC294852
0.9241	High Similarity	NPC321011
0.9241	High Similarity	NPC188679
0.9236	High Similarity	NPC472629
0.9225	High Similarity	NPC312391
0.9225	High Similarity	NPC324386
0.9225	High Similarity	NPC4743
0.9225	High Similarity	NPC213322
0.922	High Similarity	NPC261234
0.922	High Similarity	NPC241838
0.922	High Similarity	NPC152042
0.922	High Similarity	NPC143799
0.922	High Similarity	NPC316480
0.922	High Similarity	NPC140890
0.9214	High Similarity	NPC290291
0.9214	High Similarity	NPC299379
0.9214	High Similarity	NPC275055
0.9209	High Similarity	NPC9985
0.9209	High Similarity	NPC239495
0.92	High Similarity	NPC123544
0.92	High Similarity	NPC22192
0.9195	High Similarity	NPC323593
0.9195	High Similarity	NPC307938
0.9195	High Similarity	NPC471500
0.9195	High Similarity	NPC250922
0.9195	High Similarity	NPC203500
0.9189	High Similarity	NPC236756
0.9189	High Similarity	NPC106625
0.9189	High Similarity	NPC141212
0.9189	High Similarity	NPC209760
0.9189	High Similarity	NPC100134
0.9189	High Similarity	NPC311579
0.9189	High Similarity	NPC109594
0.9189	High Similarity	NPC472583
0.9189	High Similarity	NPC7989
0.9189	High Similarity	NPC326592
0.9189	High Similarity	NPC112701
0.9189	High Similarity	NPC223701
0.9184	High Similarity	NPC472636
0.9184	High Similarity	NPC474021
0.9184	High Similarity	NPC474023
0.9178	High Similarity	NPC1612
0.9178	High Similarity	NPC183959
0.9178	High Similarity	NPC89442
0.9172	High Similarity	NPC85773
0.9167	High Similarity	NPC87486
0.9167	High Similarity	NPC470890
0.9167	High Similarity	NPC124780
0.9161	High Similarity	NPC220998
0.9161	High Similarity	NPC73028
0.9161	High Similarity	NPC32739
0.9161	High Similarity	NPC265040
0.9161	High Similarity	NPC10937
0.9161	High Similarity	NPC296917
0.9161	High Similarity	NPC228504
0.9161	High Similarity	NPC227579
0.9161	High Similarity	NPC76338
0.9161	High Similarity	NPC324436
0.9161	High Similarity	NPC223500
0.9161	High Similarity	NPC64915
0.9161	High Similarity	NPC66515
0.9161	High Similarity	NPC324134
0.9161	High Similarity	NPC76372
0.9161	High Similarity	NPC161506
0.9161	High Similarity	NPC37496
0.9161	High Similarity	NPC107572
0.9161	High Similarity	NPC78
0.9161	High Similarity	NPC166482
0.9161	High Similarity	NPC40833
0.9161	High Similarity	NPC166934
0.9161	High Similarity	NPC306829
0.9161	High Similarity	NPC182852
0.9161	High Similarity	NPC177354
0.9161	High Similarity	NPC148757

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC62290 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	292
0.1-0.2	836
0.2-0.3	1605
0.3-0.4	2543
0.4-0.5	2011
0.5-0.6	1188
0.6-0.7	473
0.7-0.8	158
0.8-0.85	25
0.85-0.9	22
0.9-0.95	8
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9493	High Similarity	NPD1550	Clinical (unspecified phase)
0.9493	High Similarity	NPD1552	Clinical (unspecified phase)
0.9424	High Similarity	NPD1549	Phase 2
0.9122	High Similarity	NPD1934	Approved
0.9116	High Similarity	NPD4380	Phase 2
0.9034	High Similarity	NPD4378	Clinical (unspecified phase)
0.9007	High Similarity	NPD7075	Discontinued
0.9007	High Similarity	NPD4381	Clinical (unspecified phase)
0.8973	High Similarity	NPD1512	Approved
0.8936	High Similarity	NPD1510	Phase 2
0.8933	High Similarity	NPD2393	Clinical (unspecified phase)
0.8933	High Similarity	NPD7096	Clinical (unspecified phase)
0.8903	High Similarity	NPD6168	Clinical (unspecified phase)
0.8903	High Similarity	NPD6167	Clinical (unspecified phase)
0.8903	High Similarity	NPD6166	Phase 2
0.8867	High Similarity	NPD6801	Discontinued
0.8836	High Similarity	NPD6799	Approved
0.8836	High Similarity	NPD1511	Approved
0.8786	High Similarity	NPD1240	Approved
0.8734	High Similarity	NPD7804	Clinical (unspecified phase)
0.8662	High Similarity	NPD1607	Approved
0.8658	High Similarity	NPD5403	Approved
0.8649	High Similarity	NPD5401	Approved
0.8611	High Similarity	NPD2796	Approved
0.8609	High Similarity	NPD6599	Discontinued
0.8571	High Similarity	NPD3882	Suspended
0.8562	High Similarity	NPD2801	Approved
0.8509	High Similarity	NPD6797	Phase 2
0.8506	High Similarity	NPD8443	Clinical (unspecified phase)
0.8506	High Similarity	NPD3817	Phase 2
0.8457	Intermediate Similarity	NPD7251	Discontinued
0.8447	Intermediate Similarity	NPD7074	Phase 3
0.8438	Intermediate Similarity	NPD3818	Discontinued
0.8431	Intermediate Similarity	NPD7411	Suspended
0.8405	Intermediate Similarity	NPD7808	Phase 3
0.8405	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.84	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8387	Intermediate Similarity	NPD5402	Approved
0.8385	Intermediate Similarity	NPD7054	Approved
0.8333	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD7472	Approved
0.8231	Intermediate Similarity	NPD1551	Phase 2
0.8205	Intermediate Similarity	NPD7819	Suspended
0.8171	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8138	Intermediate Similarity	NPD1613	Approved
0.8138	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD3750	Approved
0.8129	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD6959	Discontinued
0.8121	Intermediate Similarity	NPD6559	Discontinued
0.8063	Intermediate Similarity	NPD5494	Approved
0.805	Intermediate Similarity	NPD3749	Approved
0.8013	Intermediate Similarity	NPD4628	Phase 3
0.8	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD2800	Approved
0.7947	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD1203	Approved
0.7891	Intermediate Similarity	NPD943	Approved
0.7879	Intermediate Similarity	NPD3751	Discontinued
0.7875	Intermediate Similarity	NPD7768	Phase 2
0.7872	Intermediate Similarity	NPD1610	Phase 2
0.7862	Intermediate Similarity	NPD1465	Phase 2
0.7862	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7842	Intermediate Similarity	NPD1548	Phase 1
0.7831	Intermediate Similarity	NPD5844	Phase 1
0.7821	Intermediate Similarity	NPD920	Approved
0.7806	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD3748	Approved
0.7793	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD1247	Approved
0.7778	Intermediate Similarity	NPD919	Approved
0.7778	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7755	Intermediate Similarity	NPD6798	Discontinued
0.7744	Intermediate Similarity	NPD6232	Discontinued
0.7744	Intermediate Similarity	NPD3787	Discontinued
0.7727	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD1243	Approved
0.7711	Intermediate Similarity	NPD7473	Discontinued
0.7697	Intermediate Similarity	NPD2344	Approved
0.7682	Intermediate Similarity	NPD7033	Discontinued
0.7667	Intermediate Similarity	NPD6651	Approved
0.7647	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD2313	Discontinued
0.7632	Intermediate Similarity	NPD2935	Discontinued
0.7619	Intermediate Similarity	NPD7286	Phase 2
0.7619	Intermediate Similarity	NPD4908	Phase 1
0.76	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD1652	Phase 2
0.759	Intermediate Similarity	NPD3926	Phase 2
0.7584	Intermediate Similarity	NPD6233	Phase 2
0.758	Intermediate Similarity	NPD2532	Approved
0.758	Intermediate Similarity	NPD2533	Approved
0.758	Intermediate Similarity	NPD2534	Approved
0.7569	Intermediate Similarity	NPD9717	Approved
0.7566	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD5953	Discontinued
0.7517	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD6099	Approved
0.7516	Intermediate Similarity	NPD6100	Approved
0.7514	Intermediate Similarity	NPD4363	Phase 3
0.7514	Intermediate Similarity	NPD4360	Phase 2
0.75	Intermediate Similarity	NPD2309	Approved
0.75	Intermediate Similarity	NPD6832	Phase 2
0.75	Intermediate Similarity	NPD422	Phase 1
0.7483	Intermediate Similarity	NPD6355	Discontinued
0.7483	Intermediate Similarity	NPD230	Phase 1
0.7483	Intermediate Similarity	NPD1933	Approved
0.7468	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD2799	Discontinued
0.7451	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD3027	Phase 3
0.7407	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD3268	Approved
0.7399	Intermediate Similarity	NPD8313	Approved
0.7399	Intermediate Similarity	NPD8312	Approved
0.7391	Intermediate Similarity	NPD3226	Approved
0.7389	Intermediate Similarity	NPD2354	Approved
0.7389	Intermediate Similarity	NPD6190	Approved
0.7379	Intermediate Similarity	NPD1091	Approved
0.7371	Intermediate Similarity	NPD8434	Phase 2
0.7368	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD447	Suspended
0.7368	Intermediate Similarity	NPD5124	Phase 1
0.7358	Intermediate Similarity	NPD4662	Approved
0.7358	Intermediate Similarity	NPD4661	Approved
0.7355	Intermediate Similarity	NPD2346	Discontinued
0.7351	Intermediate Similarity	NPD7584	Approved
0.7347	Intermediate Similarity	NPD3225	Approved
0.7343	Intermediate Similarity	NPD9545	Approved
0.7337	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1653	Approved
0.7317	Intermediate Similarity	NPD8455	Phase 2
0.7308	Intermediate Similarity	NPD6779	Approved
0.7308	Intermediate Similarity	NPD2424	Discontinued
0.7308	Intermediate Similarity	NPD6782	Approved
0.7308	Intermediate Similarity	NPD6777	Approved
0.7308	Intermediate Similarity	NPD6776	Approved
0.7308	Intermediate Similarity	NPD6780	Approved
0.7308	Intermediate Similarity	NPD6778	Approved
0.7308	Intermediate Similarity	NPD6781	Approved
0.7297	Intermediate Similarity	NPD2797	Approved
0.7285	Intermediate Similarity	NPD1296	Phase 2
0.7278	Intermediate Similarity	NPD3887	Approved
0.7278	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD7199	Phase 2
0.7261	Intermediate Similarity	NPD2654	Approved
0.7255	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD1019	Discontinued
0.7248	Intermediate Similarity	NPD2798	Approved
0.7237	Intermediate Similarity	NPD4062	Phase 3
0.7235	Intermediate Similarity	NPD2403	Approved
0.7234	Intermediate Similarity	NPD1241	Discontinued
0.7226	Intermediate Similarity	NPD4308	Phase 3
0.7215	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1608	Approved
0.7211	Intermediate Similarity	NPD1481	Phase 2
0.7203	Intermediate Similarity	NPD9493	Approved
0.72	Intermediate Similarity	NPD2861	Phase 2
0.7189	Intermediate Similarity	NPD7435	Discontinued
0.7188	Intermediate Similarity	NPD7390	Discontinued
0.7182	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD4361	Phase 2
0.7181	Intermediate Similarity	NPD3267	Approved
0.7181	Intermediate Similarity	NPD3266	Approved
0.7178	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD8150	Discontinued
0.7169	Intermediate Similarity	NPD4288	Approved
0.7168	Intermediate Similarity	NPD1729	Discontinued
0.7152	Intermediate Similarity	NPD6844	Discontinued
0.7143	Intermediate Similarity	NPD1201	Approved
0.7143	Intermediate Similarity	NPD1535	Discovery
0.7143	Intermediate Similarity	NPD4340	Discontinued
0.7135	Intermediate Similarity	NPD4575	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD1471	Phase 3
0.7134	Intermediate Similarity	NPD2353	Approved
0.7126	Intermediate Similarity	NPD3823	Discontinued
0.712	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD5710	Approved
0.7118	Intermediate Similarity	NPD5711	Approved
0.7099	Intermediate Similarity	NPD5049	Phase 3
0.7097	Intermediate Similarity	NPD7697	Approved
0.7097	Intermediate Similarity	NPD7698	Approved
0.7097	Intermediate Similarity	NPD7696	Phase 3
0.7095	Intermediate Similarity	NPD4287	Approved
0.7095	Intermediate Similarity	NPD3972	Approved
0.7086	Intermediate Similarity	NPD9494	Approved
0.7086	Intermediate Similarity	NPD6104	Discontinued
0.7081	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD4060	Phase 1
0.7073	Intermediate Similarity	NPD7458	Discontinued
0.7067	Intermediate Similarity	NPD1470	Approved
0.7059	Intermediate Similarity	NPD3764	Approved
0.7059	Intermediate Similarity	NPD7871	Phase 2
0.7059	Intermediate Similarity	NPD7870	Phase 2

Structure

CID62290 OpenBabel06191715402D 21 23 0 0 1 0 0 0 0 0999 V2000 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 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 3 1 0 0 0 0 1 7 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 3 8 2 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 6 0 0 0 15 7 1 1 0 0 0 15 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	122850
ChEMBL	CHEMBL9323
ZINC

Physicochemical Properties

Molecular Weight:	288.06
ALogP:	-2.4666
MLogP:	2.45
XLogP:	0.562
# Rotatable Bonds:	5
Polar Surface Area:	107.22
# H-Bond Aceptor:	2
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	21

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