NPASS Natural Product

Natural Product: NPC228383

Natural Product ID:	NPC228383
Common Name:	Mangiferin
IUPAC Name:	1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Synonyms:	Mangiferin
Molecular Formula:	C19H18O11
Standard InCHIKey:	AEDDIBAIWPIIBD-ZJKJAXBQSA-N
Standard InCHI:	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
Canonical SMILES:	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)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
NPO33596	Arrabidaea patellifera	Species	Bignoniaceae	Eukaryota	leaves	Valle de Antón, los Llanitos, Panama	2003-APR	PMID[18950229]
NPO28862	Crotalaria anagyroides	Species	Fabaceae	Eukaryota				UNPD*
NPO28457	Siler trilobum	Species	Salticidae	Eukaryota				UNPD*
NPO28586	Pyrus calleryana	Species	Rosaceae	Eukaryota				UNPD*
NPO8499	Osmerus mordax	Species	Osmeridae	Eukaryota				UNPD*
NPO27923	Calophyllum apetalum	Species	Calophyllaceae	Eukaryota				UNPD*
NPO28532	Streptomyces gougerotii	Species	Streptomycetaceae	Bacteria				UNPD*
NPO12046	Peucedanum longifolium	Species	Apiaceae	Eukaryota				UNPD*
NPO21046	Verbena triphylla	Species	Verbenaceae	Eukaryota				UNPD*
NPO29199	Lobophytum chevalieri	Species	Alcyoniidae	Eukaryota				UNPD*
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota				UNPD*
NPO1245	Eunicella cavolinii	Species	Gorgoniidae	Eukaryota				UNPD*
NPO29189	Castanopsis sclerophylla	Species	Fagaceae	Eukaryota				UNPD*
NPO15755	Thymbra spicata	Species	Lamiaceae	Eukaryota				UNPD*
NPO28949	Croton cumingii	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO28898	Grewia mollis	Species	Malvaceae	Eukaryota				UNPD*
NPO5078	Turraeanthus mannii	Species	Meliaceae	Eukaryota				UNPD*
NPO29381	Trichilia rubescens	Species	Meliaceae	Eukaryota				UNPD*
NPO12616	Swertia corymbosa	Species	Gentianaceae	Eukaryota				PMID[11978432]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota				DOI[10.1016/j.bse.2004.02.008]
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria				UNPD*
NPO7484	Salacia chinensis	Species	Celastraceae	Eukaryota				UNPD*
NPO13710	Lyophyllum shimeji	Species	Lyophyllaceae	Eukaryota				UNPD*
NPO5728	Gerbera piloselloides	Species	Asteraceae	Eukaryota				UNPD*
NPO23289	Heracleum sphondylium	Species	Apiaceae	Eukaryota				UNPD*
NPO15592	Swertia punctata	Species	Gentianaceae	Eukaryota				PMID[12377236]
NPO11599	Elaeagnus commutata	Species	Elaeagnaceae	Eukaryota				UNPD*
NPO5552	Solanum sisymbriifolium	Species	Solanaceae	Eukaryota				UNPD*
NPO24732	Cereus weberi	Species	Sagartiidae	Eukaryota				UNPD*
NPO29488	Sophora angustifolia	Species	Fabaceae	Eukaryota				UNPD*
NPO19705	Gentianella campestris	Species	Gentianaceae	Eukaryota				DOI[10.1002/hlca.19750580731]
NPO12616	Swertia corymbosa	Species	Gentianaceae	Eukaryota				UNPD*
NPO16847	Consolida ajacis	Species	Ranunculaceae	Eukaryota				UNPD*
NPO12450	Cneorum pulverulentum	Species	Rutaceae	Eukaryota				UNPD*
NPO28094	Consolida oliveriana	Species	Ranunculaceae	Eukaryota				UNPD*
NPO27269	Annona impressivenia	Species	Annonaceae	Eukaryota				UNPD*
NPO20443	Cratoxylum pruniflorum	Species	Hypericaceae	Eukaryota				PHARMAZINE,1988,43: 879
NPO5269	Coleus garckeanus	Species	Lamiaceae	Eukaryota				UNPD*
NPO29362	Euonymus sachalinensis	Species	Celastraceae	Eukaryota				UNPD*
NPO11881	Adenopeltis colliguaya	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO12680	Perityle vaseyi	Species	Asteraceae	Eukaryota				UNPD*
NPO4843	Gossampiniflos	NA	NA	NA				TCMSP*
NPO28864	Nauclea officinalis	Species	Rubiaceae	Eukaryota				UNPD*
NPO20734	Salacia reticulata	Species	Celastraceae	Eukaryota				DOI[10.1248/yakushi.121.371]
NPO29311	Securinega melanthesoides	Species	Phyllanthaceae	Eukaryota				UNPD*
NPO4267	Ceratocystis clavigera	Species	Ceratocystidaceae	Eukaryota				UNPD*
NPO9780	Merremia umbellata	Species	Convolvulaceae	Eukaryota				UNPD*
NPO28783	Dictyoloma incanescens	Species	Rutaceae	Eukaryota				UNPD*
NPO29673	Drynariae rhizoma	NA	NA	NA				TCMSP*
NPO20937	Heterocapsa niei	Species	Heterocapsaceae	Eukaryota				UNPD*
NPO22761	Gentiana cruciata	Species	Gentianaceae	Eukaryota				DOI[10.1016/S0031-9422(00)88887-1]
NPO12555	Aspergillus quadrilineatus	Species	Aspergillaceae	Eukaryota				UNPD*
NPO19861	Drypetes molunduana	Species	Putranjivaceae	Eukaryota				UNPD*
NPO13859	Senecio flavus	Species	Asteraceae	Eukaryota				UNPD*
NPO15510	Kummerowia striata	Species	Fabaceae	Eukaryota				UNPD*
NPO28937	Heterotheca grandiflora	Species	Asteraceae	Eukaryota				UNPD*
NPO29704	Pyrrosiae folium	NA	NA	NA				TCMSP*
NPO1438	Artemisia glabella	Species	Asteraceae	Eukaryota				UNPD*
NPO24862	Cyclopia intermedia	Species	Fabaceae	Eukaryota				DOI[10.1007/s00217-002-0644-5]
NPO3340	Fridericia chica	Species	Bignoniaceae	Eukaryota				UNPD*
NPO28252	Lophozia barbata	Species	Scapaniaceae	Eukaryota				UNPD*
NPO5577	Methylobacterium rhodinum	Species	Methylobacteriaceae	Bacteria				UNPD*
NPO27743	Aaptos aaptos	Species	Suberitidae	Eukaryota				UNPD*
NPO21903	Belamcandae rhizome	NA	NA	NA				TCMSP*
NPO15138	Rheum webbianum	Species	Polygonaceae	Eukaryota				UNPD*
NPO24928	Cratoxylum cochinchinense	Species	Hypericaceae	Eukaryota				PMID[15182859]
NPO2353	Bituminaria bituminosa	Species	Fabaceae	Eukaryota				UNPD*
NPO4935	Dinemasporium strigosum	Species	Chaetosphaeriaceae	Eukaryota				UNPD*
NPO29225	Oncoba echinata	Species	Salicaceae	Eukaryota				UNPD*
NPO28020	Hypaphorus subumbrans	NA	NA	NA				UNPD*
NPO28934	Gentianae radix et rhozima	NA	NA	NA				TCMSP*
NPO14218	Spodoptera littoralis	Species	Noctuidae	Eukaryota				UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota				DOI[10.1246/bcsj.30.618]
NPO26192	Cordylanthus kingii	Species	Orobanchaceae	Eukaryota				UNPD*
NPO29127	Cystophora scalaris	Species	Sargassaceae	Eukaryota				UNPD*
NPO29188	Guatteria melosma	Species	Annonaceae	Eukaryota				UNPD*
NPO25981	Crinipellis scabella	Species	Marasmiaceae	Eukaryota				UNPD*
NPO29558	Anemarrhenae rhizoma	NA	NA	NA				TCMSP*
NPO29344	Parabenzoin trilobum	NA	NA	NA				UNPD*
NPO30136	Cyclopia maculata	Species	Fabaceae	Eukaryota				DOI[10.1007/s00217-002-0644-5]
NPO13818	Narcissus concolor	Species	Amaryllidaceae	Eukaryota				UNPD*
NPO14557	Dictyopteris undulata	Species	Dictyotaceae	Eukaryota				UNPD*
NPO29449	Boehmeria nivea	Species	Urticaceae	Eukaryota				UNPD*
NPO28971	Bersama yangambiensis	Species	Melianthaceae	Eukaryota				UNPD*
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota				TM-MC*
NPO25024	Lycoris traubii	Species	Amaryllidaceae	Eukaryota				UNPD*
NPO30223	Swertia chirata	Species	Gentianaceae	Eukaryota				DOI[10.1016/S0040-4039(00)95355-3]
NPO4971	Alnus firma	Species	Betulaceae	Eukaryota				UNPD*
NPO29242	Salvia dorrii	Species	Lamiaceae	Eukaryota				UNPD*
NPO29154	Heliotropium floridum	Species	Heliotropiaceae	Eukaryota				UNPD*
NPO28793	Wettsteinia inversa	Species	Adelanthaceae	Eukaryota				UNPD*
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota				TM-MC*
NPO28149	Polygala fallax	Species	Polygalaceae	Eukaryota				UNPD*
NPO30452	Swertia cordata	Species	Gentianaceae	Eukaryota				DOI[10.1021/np50103a019]
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria				UNPD*
NPO14034	Salvia coulteri	Species	Lamiaceae	Eukaryota				UNPD*
NPO21700	Capsicum tetragonum	Species	Solanaceae	Eukaryota				UNPD*
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota				TM-MC*
NPO29400	Conocephalum japonicum	Species	Conocephalaceae	Eukaryota				UNPD*
NPO30486	Cyclopia sessiliflora	Species	Fabaceae	Eukaryota				DOI[10.1007/s00217-002-0644-5]
NPO29003	Croton poilanei	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO14869	Ormosia panamensis	Species	Limoniidae	Eukaryota				UNPD*
NPO7484	Salacia chinensis	Species	Celastraceae	Eukaryota	Stems	Thailand		PMID[14510595]
NPO7528	Iris domestica	Species	Iridaceae	Eukaryota				TM-MC*
NPO28784	Alseodaphne corneri	Species	Lauraceae	Eukaryota				UNPD*
NPO30586	Cyclopia genistoides	Species	Fabaceae	Eukaryota				DOI[10.1007/s00217-002-0644-5]
NPO15393	Eucalyptus flocktoniae	Species	Myrtaceae	Eukaryota				UNPD*
NPO28984	Dasymaschalon sootepense	Species	Annonaceae	Eukaryota				UNPD*
NPO1372	Arrabidaea samydoides	Species	Bignoniaceae	Eukaryota	Stems			PMID[14575443]
NPO26970	Lygodium flexuosum	Species	Lygodiaceae	Eukaryota				UNPD*
NPO29203	Gymnocarpium robertianum	Species	Cystopteridaceae	Eukaryota				UNPD*
NPO31516	Gentianopsis	Genus	Gentianaceae	Eukaryota				DOI[10.1016/0305-1978(82)90006-0]
NPO2027	Jaborosa caulescens	Species	Solanaceae	Eukaryota				UNPD*
NPO28824	Forsteronia refracta	Species	Apocynaceae	Eukaryota				UNPD*
NPO9824	Swertia kouitchensis	Species	Gentianaceae	Eukaryota				PMID[23805995]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota				TM-MC*
NPO28805	Thymus piperella	Species	Lamiaceae	Eukaryota				UNPD*
NPO403	Gentiana lutea	Species	Gentianaceae	Eukaryota				PMID[10705751]
NPO4244	Doodia picta	Species	Blechnaceae	Eukaryota				UNPD*
NPO15858	Phoebe formosana	Species	Lauraceae	Eukaryota				UNPD*
NPO27260	Polygala tenuifolia	Species	Polygalaceae	Eukaryota	Aerial parts			PMID[24042007]
NPO21485	Polygala sibirica	Species	Polygalaceae	Eukaryota				TM-MC*
NPO11769	Ageratina adenophora	Species	Asteraceae	Eukaryota				UNPD*
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota				DOI[10.1078/0176-1617-00195]
NPO28820	Saccharum spontaneum	Species	Poaceae	Eukaryota				UNPD*
NPO28845	Eragrostis viscosa	Species	Poaceae	Eukaryota				UNPD*
NPO29292	Teucrium depressum	Species	Lamiaceae	Eukaryota				UNPD*
NPO33051	mango tree	NA	NA	NA	Stem barks			PMID[24613627]
NPO27260	Polygala tenuifolia	Species	Polygalaceae	Eukaryota				TM-MC*
NPO29068	Papilio phorcas	Species	Papilionidae	Eukaryota				UNPD*
NPO6601	Canscora decussata	Species	Gentianaceae	Eukaryota				PMID[807707]
NPO28754	Thelephora palmata	Species	Thelephoraceae	Eukaryota				UNPD*
NPO29530	Kaempferia marginata	Species	Zingiberaceae	Eukaryota				UNPD*
NPO1639	Pyrrosia lingua	Species	Polypodiaceae	Eukaryota				TM-MC*
NPO11593	Teucrium leucocladum	Species	Lamiaceae	Eukaryota				UNPD*
NPO7019	Hypericum sampsonii	Species	Hypericaceae	Eukaryota				DOI[10.1016/j.phytochem.2004.08.014]
NPO12416	Quercus mongolica	Species	Fagaceae	Eukaryota				UNPD*
NPO11194	Bombus hortorum	Species	Apidae	Eukaryota				UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota				UNPD*
NPO24078	Pyrrosia petiolosa	Species	Polypodiaceae	Eukaryota				TM-MC*
NPO29142	Kaunia saltensis	Species	Asteraceae	Eukaryota				UNPD*
NPO7484	Salacia chinensis	Species	Celastraceae	Eukaryota				PMID[12951446]
NPO13230	Pedicularis condensata	Species	Orobanchaceae	Eukaryota				UNPD*
NPO16678	Flindersia brayleyana	Species	Rutaceae	Eukaryota				UNPD*
NPO15272	Mascarenhasia arborescens	Species	Apocynaceae	Eukaryota				UNPD*
NPO29331	Pyrrosia sheareri	Species	Polypodiaceae	Eukaryota				TM-MC*
NPO29504	Urena lobata	Species	Malvaceae	Eukaryota				UNPD*
NPO8327	Cyclopia subternata	Species	Fabaceae	Eukaryota				PMID[15315375]
NPO13548	Chrozophora obliqua	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO28918	Ophiolepis superba	Species	Ophiolepididae	Eukaryota				UNPD*
NPO16445	Pyrrosia tricuspis	Species	Polypodiaceae	Eukaryota				TM-MC*
NPO28366	Cladonia furcata	Species	Cladoniaceae	Eukaryota				UNPD*
NPO28666	Strychnos staudtii	Species	Loganiaceae	Eukaryota				UNPD*
NPO29046	Tsuga mertensiana	Species	Pinaceae	Eukaryota				UNPD*
NPO28011	Swertia japonica	Species	Gentianaceae	Eukaryota				TM-MC*
NPO10492	Artemisia montana	Species	Asteraceae	Eukaryota				UNPD*
NPO29276	Juglans nigra	Species	Juglandaceae	Eukaryota				UNPD*
NPO4055	Aspergillus unguis	Species	Aspergillaceae	Eukaryota				UNPD*
NPO14826	Streptomyces mobaraensis	Species	Streptomycetaceae	Bacteria				UNPD*
NPO14381	Swertia pseudochinensis	Species	Gentianaceae	Eukaryota				TM-MC*
NPO12977	Solenopsis invicta	Species	Formicidae	Eukaryota				UNPD*
NPO29047	Disynaphia halimifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO16175	Trichia floriformis	Species	Trichiidae	Eukaryota				UNPD*
NPO6824	Streptomyces collinus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO3391	Jungermannia obovata	Species	Jungermanniaceae	Eukaryota				UNPD*
NPO13375	Palafoxia rosea	Species	Asteraceae	Eukaryota				UNPD*
NPO3744	Polycephalomyces nipponicus	Species	Ophiocordycipitaceae	Eukaryota				UNPD*
NPO16516	Centaurea seridis	Species	Asteraceae	Eukaryota				UNPD*
NPO16428	Millettia conraui	Species	Fabaceae	Eukaryota				UNPD*
NPO29004	Ruta pinnata	Species	Rutaceae	Eukaryota				UNPD*
NPO9420	Aspergillus arenarius	Species	Aspergillaceae	Eukaryota				UNPD*
NPO26017	Dalbergia stipulacea	Species	Fabaceae	Eukaryota				UNPD*
NPO7801	Smilax myosotiflora	Species	Smilacaceae	Eukaryota				UNPD*
NPO29034	Suberea mollis	Species	Aplysinellidae	Eukaryota				UNPD*
NPO29363	Aconitum nevadense	Species	Ranunculaceae	Eukaryota				UNPD*
NPO29379	Felicia erigeroides	Species	Asteraceae	Eukaryota				UNPD*
NPO14555	Porella swartziana	Species	Porellaceae	Eukaryota				UNPD*
NPO11017	Silene fortunei	Species	Caryophyllaceae	Eukaryota				UNPD*
NPO17613	Sophora microphylla	Species	Fabaceae	Eukaryota				UNPD*
NPO15961	Sida cordifolia	Species	Malvaceae	Eukaryota				UNPD*
NPO29510	Aulacocephalus temmincki	Species	Serranidae	Eukaryota				UNPD*
NPO16758	Satureja cuneifolia	Species	Lamiaceae	Eukaryota				UNPD*
NPO28852	Euphorbia makinoi	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO29413	Lupinus paniculatus	Species	Fabaceae	Eukaryota				UNPD*
NPO9157	Rubrivivax gelatinosus	Species	NA	Bacteria				UNPD*
NPO28417	Monnina emarginata	Species	Polygalaceae	Eukaryota				UNPD*
NPO29446	Stevia polycephala	Species	Asteraceae	Eukaryota				UNPD*
NPO29415	Hovenia acerba	Species	Rhamnaceae	Eukaryota				UNPD*
NPO15015	Meconopsis napaulensis	Species	Papaveraceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
EC50	1
IC50	9
Kd	1
Others	10

Activity Type	# Activity
Cell Line	2
Individual Protein	4
Organism	1
Others	14

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT344	Individual Protein	Sialidase	Clostridium perfringens	IC50	=	16200	nM	19285413
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	=	3200	nM	14510595
NPT1	Others	Radical scavenging activity		IC50	=	35020	nM	14575443
NPT2	Others	Unspecified		IC50	=	16200	nM	18938076
NPT1489	Individual Protein	Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	Trypanosoma cruzi	IC50	=	149000	nM	19254846
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	23800	nM	18950229
NPT1	Others	Radical scavenging activity		Ratio	=	0.12		18950229
NPT2	Others	Unspecified		EC50	=	1260	nM	18950229
NPT2	Others	Unspecified		IC50	=	11200	nM	19660948
NPT2	Others	Unspecified		Activity	=	115	10'1AU.min	21732671
NPT2	Others	Unspecified		Activity	=	77	10'1AU.min	21732671
NPT2	Others	Unspecified		Activity	=	72	10'1AU.min	21732671
NPT2	Others	Unspecified		Activity	=	65	10'1AU.min	21732671
NPT2	Others	Unspecified		Activity	=	44	10'1AU.min	21732671
NPT2	Others	Unspecified		Activity	=	22.68	nmol	10.1007/s00044-011-9697-y
NPT2	Others	Unspecified		Kd	=	400.2	nM	10.1007/s00044-011-9697-y
NPT2	Others	Unspecified		IC50	=	296000	nM	23805995
NPT34	Cell Line	BV-2	Mus musculus	Inhibition	>	80	%	24042007
NPT34	Cell Line	BV-2	Mus musculus	IC50	=	38500	nM	24042007
NPT3084	Individual Protein	Neuraminidase	Influenza A virus	Inhibition	=	18.4	%	24613627
NPT2	Others	Unspecified		Inhibition	=	21.4	%	24613627

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 NPC228383 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	365
0.1-0.2	1260
0.2-0.3	2652
0.3-0.4	6267
0.4-0.5	6590
0.5-0.6	2846
0.6-0.7	3370
0.7-0.8	4034
0.8-0.85	1735
0.85-0.9	1324
0.9-0.95	440
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9935	High Similarity	NPC220912
0.95	High Similarity	NPC289396
0.95	High Similarity	NPC212038
0.95	High Similarity	NPC81332
0.95	High Similarity	NPC262580
0.95	High Similarity	NPC271848
0.9487	High Similarity	NPC134783
0.9484	High Similarity	NPC53545
0.9484	High Similarity	NPC117418
0.9434	High Similarity	NPC6588
0.9434	High Similarity	NPC14662
0.9434	High Similarity	NPC117854
0.9434	High Similarity	NPC477154
0.943	High Similarity	NPC50960
0.9427	High Similarity	NPC474033
0.9427	High Similarity	NPC474034
0.9423	High Similarity	NPC174953
0.9423	High Similarity	NPC471976
0.9419	High Similarity	NPC262286
0.9419	High Similarity	NPC223787
0.9419	High Similarity	NPC36852
0.9416	High Similarity	NPC113906
0.9375	High Similarity	NPC183036
0.9375	High Similarity	NPC326877
0.9371	High Similarity	NPC207575
0.9371	High Similarity	NPC13481
0.9363	High Similarity	NPC289771
0.9363	High Similarity	NPC142252
0.9363	High Similarity	NPC26326
0.9363	High Similarity	NPC471211
0.9363	High Similarity	NPC266314
0.9363	High Similarity	NPC472632
0.9363	High Similarity	NPC471212
0.9363	High Similarity	NPC3629
0.9359	High Similarity	NPC250214
0.9359	High Similarity	NPC95936
0.9359	High Similarity	NPC473990
0.9355	High Similarity	NPC138243
0.9317	High Similarity	NPC103307
0.9317	High Similarity	NPC474434
0.9317	High Similarity	NPC74559
0.9317	High Similarity	NPC34287
0.9317	High Similarity	NPC471416
0.9313	High Similarity	NPC243877
0.9313	High Similarity	NPC260266
0.9308	High Similarity	NPC470457
0.9304	High Similarity	NPC81679
0.9304	High Similarity	NPC83922
0.9304	High Similarity	NPC472448
0.9304	High Similarity	NPC261470
0.9304	High Similarity	NPC476247
0.9299	High Similarity	NPC472631
0.9299	High Similarity	NPC470326
0.9299	High Similarity	NPC472630
0.9295	High Similarity	NPC475267
0.9295	High Similarity	NPC474208
0.9295	High Similarity	NPC48208
0.9295	High Similarity	NPC291508
0.9295	High Similarity	NPC474836
0.9295	High Similarity	NPC471209
0.9295	High Similarity	NPC474055
0.9295	High Similarity	NPC99597
0.9295	High Similarity	NPC156057
0.9295	High Similarity	NPC78225
0.9295	High Similarity	NPC162869
0.9295	High Similarity	NPC78103
0.9295	High Similarity	NPC472598
0.9295	High Similarity	NPC210084
0.929	High Similarity	NPC477503
0.929	High Similarity	NPC200761
0.929	High Similarity	NPC470327
0.929	High Similarity	NPC321779
0.929	High Similarity	NPC45849
0.9286	High Similarity	NPC106976
0.9268	High Similarity	NPC265380
0.9268	High Similarity	NPC471789
0.9259	High Similarity	NPC121333
0.9255	High Similarity	NPC471457
0.9255	High Similarity	NPC242395
0.9255	High Similarity	NPC170675
0.9255	High Similarity	NPC112755
0.9255	High Similarity	NPC95855
0.9255	High Similarity	NPC177480
0.9255	High Similarity	NPC210042
0.925	High Similarity	NPC128293
0.925	High Similarity	NPC471213
0.9245	High Similarity	NPC124038
0.9245	High Similarity	NPC273959
0.9245	High Similarity	NPC329669
0.9245	High Similarity	NPC7483
0.9245	High Similarity	NPC473313
0.9245	High Similarity	NPC470459
0.9245	High Similarity	NPC248638
0.9245	High Similarity	NPC152659
0.9245	High Similarity	NPC472278
0.9245	High Similarity	NPC236521
0.9245	High Similarity	NPC41301
0.9241	High Similarity	NPC471499
0.9241	High Similarity	NPC308992
0.9241	High Similarity	NPC474038
0.9241	High Similarity	NPC472634
0.9241	High Similarity	NPC471210
0.9241	High Similarity	NPC167678
0.9241	High Similarity	NPC29876
0.9241	High Similarity	NPC198829
0.9236	High Similarity	NPC469658
0.9236	High Similarity	NPC329091
0.9236	High Similarity	NPC22192
0.9231	High Similarity	NPC470328
0.9231	High Similarity	NPC235165
0.9231	High Similarity	NPC278778
0.9231	High Similarity	NPC35038
0.9231	High Similarity	NPC191146
0.9231	High Similarity	NPC68093
0.9231	High Similarity	NPC255106
0.9231	High Similarity	NPC291878
0.9231	High Similarity	NPC472626
0.9231	High Similarity	NPC472916
0.9231	High Similarity	NPC201837
0.9231	High Similarity	NPC195796
0.9231	High Similarity	NPC209614
0.9231	High Similarity	NPC470600
0.9226	High Similarity	NPC74924
0.9226	High Similarity	NPC213896
0.9226	High Similarity	NPC298692
0.9226	High Similarity	NPC192083
0.9221	High Similarity	NPC227485
0.9221	High Similarity	NPC171010
0.9221	High Similarity	NPC204515
0.9212	High Similarity	NPC185275
0.9211	High Similarity	NPC207729
0.9198	High Similarity	NPC44558
0.9198	High Similarity	NPC224462
0.9198	High Similarity	NPC183357
0.9198	High Similarity	NPC21190
0.9198	High Similarity	NPC472276
0.9198	High Similarity	NPC22195
0.9193	High Similarity	NPC477502
0.9193	High Similarity	NPC470456
0.9193	High Similarity	NPC158761
0.9193	High Similarity	NPC8965
0.9193	High Similarity	NPC474024
0.9193	High Similarity	NPC45400
0.9193	High Similarity	NPC93099
0.9187	High Similarity	NPC471788
0.9187	High Similarity	NPC234052
0.9187	High Similarity	NPC224280
0.9187	High Similarity	NPC62261
0.9187	High Similarity	NPC326520
0.9182	High Similarity	NPC25152
0.9182	High Similarity	NPC472635
0.9177	High Similarity	NPC282009
0.9177	High Similarity	NPC204290
0.9177	High Similarity	NPC475784
0.9177	High Similarity	NPC118256
0.9177	High Similarity	NPC14353
0.9177	High Similarity	NPC228785
0.9177	High Similarity	NPC476980
0.9177	High Similarity	NPC192686
0.9177	High Similarity	NPC119209
0.9177	High Similarity	NPC263449
0.9177	High Similarity	NPC56085
0.9177	High Similarity	NPC287328
0.9172	High Similarity	NPC472914
0.9172	High Similarity	NPC472911
0.9172	High Similarity	NPC79053
0.9172	High Similarity	NPC27337
0.9172	High Similarity	NPC245758
0.9172	High Similarity	NPC52889
0.9172	High Similarity	NPC222814
0.9172	High Similarity	NPC472910
0.9172	High Similarity	NPC469584
0.9172	High Similarity	NPC470402
0.9172	High Similarity	NPC96167
0.9172	High Similarity	NPC472913
0.9167	High Similarity	NPC37392
0.9167	High Similarity	NPC2928
0.9167	High Similarity	NPC208197
0.9167	High Similarity	NPC117992
0.9167	High Similarity	NPC230149
0.9167	High Similarity	NPC168247
0.9167	High Similarity	NPC134287
0.9167	High Similarity	NPC57674
0.9167	High Similarity	NPC256925
0.9167	High Similarity	NPC152951
0.9167	High Similarity	NPC130589
0.9161	High Similarity	NPC161277
0.9161	High Similarity	NPC101996
0.9161	High Similarity	NPC39007
0.9161	High Similarity	NPC19721
0.9156	High Similarity	NPC248102
0.915	High Similarity	NPC194856
0.9146	High Similarity	NPC472607
0.9141	High Similarity	NPC301683
0.9141	High Similarity	NPC48773
0.9141	High Similarity	NPC307518
0.9141	High Similarity	NPC205076
0.9141	High Similarity	NPC186847
0.9141	High Similarity	NPC257667
0.9141	High Similarity	NPC472454

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC228383 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	353
0.1-0.2	890
0.2-0.3	1854
0.3-0.4	2621
0.4-0.5	1817
0.5-0.6	1024
0.6-0.7	423
0.7-0.8	134
0.8-0.85	21
0.85-0.9	18
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9226	High Similarity	NPD2393	Clinical (unspecified phase)
0.9068	High Similarity	NPD6166	Phase 2
0.9068	High Similarity	NPD6168	Clinical (unspecified phase)
0.9068	High Similarity	NPD6167	Clinical (unspecified phase)
0.9038	High Similarity	NPD1934	Approved
0.9032	High Similarity	NPD4380	Phase 2
0.8987	High Similarity	NPD4868	Clinical (unspecified phase)
0.8981	High Similarity	NPD2801	Approved
0.8938	High Similarity	NPD5494	Approved
0.8848	High Similarity	NPD7074	Phase 3
0.8841	High Similarity	NPD3818	Discontinued
0.8802	High Similarity	NPD4338	Clinical (unspecified phase)
0.8788	High Similarity	NPD7054	Approved
0.8735	High Similarity	NPD7472	Approved
0.8696	High Similarity	NPD4381	Clinical (unspecified phase)
0.8683	High Similarity	NPD7993	Clinical (unspecified phase)
0.8683	High Similarity	NPD6797	Phase 2
0.8645	High Similarity	NPD1511	Approved
0.8634	High Similarity	NPD3882	Suspended
0.8631	High Similarity	NPD7251	Discontinued
0.858	High Similarity	NPD7075	Discontinued
0.8537	High Similarity	NPD6959	Discontinued
0.8535	High Similarity	NPD1512	Approved
0.8509	High Similarity	NPD1465	Phase 2
0.8471	Intermediate Similarity	NPD7808	Phase 3
0.8457	Intermediate Similarity	NPD5402	Approved
0.8452	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8452	Intermediate Similarity	NPD5844	Phase 1
0.8447	Intermediate Similarity	NPD6801	Discontinued
0.8442	Intermediate Similarity	NPD1549	Phase 2
0.8395	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8377	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8377	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8354	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8344	Intermediate Similarity	NPD3817	Phase 2
0.8344	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8282	Intermediate Similarity	NPD7819	Suspended
0.8272	Intermediate Similarity	NPD7411	Suspended
0.8239	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8198	Intermediate Similarity	NPD6559	Discontinued
0.8155	Intermediate Similarity	NPD6232	Discontinued
0.8129	Intermediate Similarity	NPD1510	Phase 2
0.8118	Intermediate Similarity	NPD7473	Discontinued
0.8077	Intermediate Similarity	NPD2796	Approved
0.8025	Intermediate Similarity	NPD5403	Approved
0.7988	Intermediate Similarity	NPD1247	Approved
0.7987	Intermediate Similarity	NPD1613	Approved
0.7987	Intermediate Similarity	NPD943	Approved
0.7987	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7953	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.795	Intermediate Similarity	NPD6799	Approved
0.7901	Intermediate Similarity	NPD5401	Approved
0.7889	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7877	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD1240	Approved
0.7848	Intermediate Similarity	NPD2935	Discontinued
0.7812	Intermediate Similarity	NPD2800	Approved
0.7797	Intermediate Similarity	NPD8312	Approved
0.7797	Intermediate Similarity	NPD8313	Approved
0.7778	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6599	Discontinued
0.7771	Intermediate Similarity	NPD1607	Approved
0.7759	Intermediate Similarity	NPD3751	Discontinued
0.7758	Intermediate Similarity	NPD1653	Approved
0.7751	Intermediate Similarity	NPD7768	Phase 2
0.7727	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7716	Intermediate Similarity	NPD6190	Approved
0.7707	Intermediate Similarity	NPD230	Phase 1
0.7706	Intermediate Similarity	NPD3749	Approved
0.7688	Intermediate Similarity	NPD3926	Phase 2
0.7683	Intermediate Similarity	NPD2534	Approved
0.7683	Intermediate Similarity	NPD2532	Approved
0.7683	Intermediate Similarity	NPD2533	Approved
0.7661	Intermediate Similarity	NPD919	Approved
0.7657	Intermediate Similarity	NPD7228	Approved
0.7654	Intermediate Similarity	NPD3750	Approved
0.763	Intermediate Similarity	NPD3787	Discontinued
0.7611	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD6781	Approved
0.7594	Intermediate Similarity	NPD6776	Approved
0.7594	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD6782	Approved
0.7594	Intermediate Similarity	NPD6778	Approved
0.7594	Intermediate Similarity	NPD6777	Approved
0.7594	Intermediate Similarity	NPD6779	Approved
0.7594	Intermediate Similarity	NPD6780	Approved
0.7593	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD920	Approved
0.7564	Intermediate Similarity	NPD3027	Phase 3
0.7558	Intermediate Similarity	NPD6234	Discontinued
0.7552	Intermediate Similarity	NPD8151	Discontinued
0.7547	Intermediate Similarity	NPD6651	Approved
0.7546	Intermediate Similarity	NPD4628	Phase 3
0.7531	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD5953	Discontinued
0.7516	Intermediate Similarity	NPD1551	Phase 2
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.75	Intermediate Similarity	NPD3226	Approved
0.7485	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD7697	Approved
0.7474	Intermediate Similarity	NPD7696	Phase 3
0.7474	Intermediate Similarity	NPD7698	Approved
0.7474	Intermediate Similarity	NPD7435	Discontinued
0.7473	Intermediate Similarity	NPD8150	Discontinued
0.7471	Intermediate Similarity	NPD37	Approved
0.747	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD4965	Approved
0.7442	Intermediate Similarity	NPD4966	Approved
0.7442	Intermediate Similarity	NPD4967	Phase 2
0.7433	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD7390	Discontinued
0.7409	Intermediate Similarity	NPD7701	Phase 2
0.7405	Intermediate Similarity	NPD2313	Discontinued
0.7389	Intermediate Similarity	NPD7685	Pre-registration
0.7385	Intermediate Similarity	NPD7783	Phase 2
0.7385	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD1243	Approved
0.7377	Intermediate Similarity	NPD8434	Phase 2
0.7375	Intermediate Similarity	NPD447	Suspended
0.7371	Intermediate Similarity	NPD7199	Phase 2
0.7368	Intermediate Similarity	NPD6844	Discontinued
0.7365	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD2346	Discontinued
0.7358	Intermediate Similarity	NPD7584	Approved
0.7349	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD3748	Approved
0.7346	Intermediate Similarity	NPD2799	Discontinued
0.7344	Intermediate Similarity	NPD7871	Phase 2
0.7344	Intermediate Similarity	NPD7870	Phase 2
0.7333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD6823	Phase 2
0.7326	Intermediate Similarity	NPD8455	Phase 2
0.7326	Intermediate Similarity	NPD4363	Phase 3
0.7326	Intermediate Similarity	NPD4360	Phase 2
0.7326	Intermediate Similarity	NPD6534	Approved
0.7326	Intermediate Similarity	NPD6535	Approved
0.7302	Intermediate Similarity	NPD7700	Phase 2
0.7302	Intermediate Similarity	NPD7699	Phase 2
0.7301	Intermediate Similarity	NPD6100	Approved
0.7301	Intermediate Similarity	NPD6099	Approved
0.7296	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD7266	Discontinued
0.7256	Intermediate Similarity	NPD2344	Approved
0.7245	Intermediate Similarity	NPD7874	Approved
0.7245	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD5710	Approved
0.7232	Intermediate Similarity	NPD5711	Approved
0.7229	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD9494	Approved
0.7208	Intermediate Similarity	NPD7801	Approved
0.7198	Intermediate Similarity	NPD7240	Approved
0.7191	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD4908	Phase 1
0.716	Intermediate Similarity	NPD1933	Approved
0.7115	Intermediate Similarity	NPD9269	Phase 2
0.711	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD2424	Discontinued
0.7107	Intermediate Similarity	NPD2861	Phase 2
0.7101	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD6213	Phase 3
0.709	Intermediate Similarity	NPD6212	Phase 3
0.7089	Intermediate Similarity	NPD1203	Approved
0.7086	Intermediate Similarity	NPD5353	Approved
0.7083	Intermediate Similarity	NPD2309	Approved
0.707	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD6832	Phase 2
0.7055	Intermediate Similarity	NPD5124	Phase 1
0.7055	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD1610	Phase 2
0.703	Intermediate Similarity	NPD7033	Discontinued
0.7	Intermediate Similarity	NPD5242	Approved
0.6994	Remote Similarity	NPD7458	Discontinued
0.699	Remote Similarity	NPD8320	Phase 1
0.699	Remote Similarity	NPD8319	Approved
0.6983	Remote Similarity	NPD8127	Discontinued
0.697	Remote Similarity	NPD7585	Approved
0.6961	Remote Similarity	NPD4665	Approved
0.6961	Remote Similarity	NPD4111	Phase 1
0.6961	Remote Similarity	NPD2403	Approved
0.6957	Remote Similarity	NPD3823	Discontinued
0.6951	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD7229	Phase 3
0.6933	Remote Similarity	NPD6233	Phase 2
0.6927	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD4361	Phase 2
0.6919	Remote Similarity	NPD7583	Approved
0.6914	Remote Similarity	NPD4625	Phase 3
0.6907	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD1548	Phase 1
0.6902	Remote Similarity	NPD1729	Discontinued
0.6893	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7907	Approved

Structure

CID228383 OpenBabel06191716022D 30 33 0 0 1 0 0 0 0 0999 V2000 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 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 0.8660 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 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 2 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 -1.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 1 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 6.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 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 3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 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 5 1 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 3 10 1 0 0 0 0 4 20 1 0 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 29 1 0 0 0 0 11 4 1 6 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 24 2 0 0 0 0 15 17 1 0 0 0 0 15 25 1 1 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 6 0 0 0 18 19 1 0 0 0 0 18 28 1 1 0 0 0 19 12 1 6 0 0 0 19 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5281647
ChEMBL	CHEMBL464825
ZINC

Physicochemical Properties

Molecular Weight:	422.08
ALogP:	-4.4948
MLogP:	2.34
XLogP:	-1.995
# Rotatable Bonds:	10
Polar Surface Area:	197.37
# H-Bond Aceptor:	6
# H-Bond Donor:	8
# Rings:	4
# Heavy Atoms:	30

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs