Natural Product: NPC98777

Natural Product ID:  NPC98777
Common Name:   Rhapontin
IUPAC Name:   (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   Rhaponticin; Rhapontin
Molecular Formula:   C21H24O9
Standard InCHIKey:  GKAJCVFOJGXVIA-DXKBKAGUSA-N
Standard InCHI:  InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)OC)cc(c2)O)[C@@H]([C@H]([C@@H]1O)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
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota UNPD*
NPO20353 Degenia velebitica Species Brassicaceae Eukaryota UNPD*
NPO20844 Sphaerella rosigena NA NA NA UNPD*
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota UNPD*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]
NPO13754 Tanacetum coccineum Species Asteraceae Eukaryota UNPD*
NPO10359 Chaiturus marrubiastrum Species Lamiaceae Eukaryota UNPD*
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota UNPD*
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota UNPD*
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota UNPD*
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota UNPD*
NPO16572 Rhododendron dahuricum Species Ericaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota UNPD*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO19913 Rhynchophorus ferrugineus Species Curculionidae Eukaryota UNPD*
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota UNPD*
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota UNPD*
NPO19671 Dipsacus azureus Species Caprifoliaceae Eukaryota UNPD*
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota UNPD*
NPO10216 Leptocereus quadricostatus Species Cactaceae Eukaryota UNPD*
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota UNPD*
NPO19512 Gleichenia quadripartita Species Gleicheniaceae Eukaryota UNPD*
NPO21564 Senecio behnii Species Asteraceae Eukaryota UNPD*
NPO7952 Commelina communis Species Commelinaceae Eukaryota TM-MC*
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota UNPD*
NPO29417 Fallopia multiflora Species Polygonaceae Eukaryota TM-MC*
NPO25238 Rheum coreanum Species Polygonaceae Eukaryota TM-MC*
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota UNPD*
NPO19037 Senecio praecox Species Asteraceae Eukaryota UNPD*
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota UNPD*
NPO26917 Quercus rubra Species Fagaceae Eukaryota UNPD*
NPO21112 Chaetomium carinthiacum Species Chaetomiaceae Eukaryota UNPD*
NPO14932.1 Dalbergia lanceolaria subsp. paniculata Subspecies Fabaceae Eukaryota UNPD*
NPO17018 Salvia greggii Species Lamiaceae Eukaryota UNPD*
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TM-MC*
NPO21376 Lupinus corymbosus Species Fabaceae Eukaryota UNPD*
NPO13246 Pinalia stricta Species Orchidaceae Eukaryota UNPD*
NPO20947 Tagetes filifolia Species Asteraceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TM-MC*
NPO12108 Aizopsis selskiana Species Crassulaceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TM-MC*
NPO20223 Rosa pomifera Species Rosaceae Eukaryota UNPD*
NPO27737 Penicillium shearii Species Aspergillaceae Eukaryota UNPD*
NPO17568 Balanophora laxiflora Species Balanophoraceae Eukaryota UNPD*
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota UNPD*
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota UNPD*
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO14800 Oophaga granulifera Species Dendrobatidae Eukaryota UNPD*
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota UNPD*
NPO19395 Nepeta granatensis Species Lamiaceae Eukaryota UNPD*
NPO17856 Anaphalis lactea Species Asteraceae Eukaryota UNPD*
NPO19232 Anchusa azurea Species Boraginaceae Eukaryota UNPD*
NPO20560 Polyporus betulinus Species Polyporaceae Eukaryota UNPD*
NPO18867 Stephanitis takeyai Species Tingidae Eukaryota UNPD*
NPO20625 Delphinium virgatum Species Ranunculaceae Eukaryota UNPD*
NPO24407 Bipolaris heveae Species Pleosporaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus IC50 > 100000 nM 10714491
NPT32 Organism Mus musculus Mus musculus Inhibition = 25 % 10714491
NPT2 Others Unspecified IC50 = 600 ug/ml 10.1021/np50076a034
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -3.62 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -4.38 % 23062825
NPT91 Cell Line KB Homo sapiens IC50 = 34 nM 23177726
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 166.21 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 100.59 % 23571415

  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 NPC98777 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC212770
0.9924 High Similarity NPC65530
0.9924 High Similarity NPC59324
0.9847 High Similarity NPC203230
0.9847 High Similarity NPC242028
0.9776 High Similarity NPC189115
0.9776 High Similarity NPC475084
0.9776 High Similarity NPC469559
0.9701 High Similarity NPC469661
0.9632 High Similarity NPC473045
0.9632 High Similarity NPC25292
0.9618 High Similarity NPC294166
0.9618 High Similarity NPC115022
0.9618 High Similarity NPC49074
0.9618 High Similarity NPC132895
0.9562 High Similarity NPC475096
0.9559 High Similarity NPC252169
0.9559 High Similarity NPC473044
0.9549 High Similarity NPC164857
0.9542 High Similarity NPC26080
0.9542 High Similarity NPC85799
0.9542 High Similarity NPC303422
0.9542 High Similarity NPC165686
0.9542 High Similarity NPC162093
0.9493 High Similarity NPC99515
0.9493 High Similarity NPC125755
0.9493 High Similarity NPC190714
0.9478 High Similarity NPC470413
0.9478 High Similarity NPC138738
0.9474 High Similarity NPC470236
0.9474 High Similarity NPC238243
0.9466 High Similarity NPC121376
0.9424 High Similarity NPC227902
0.9424 High Similarity NPC39657
0.942 High Similarity NPC277867
0.942 High Similarity NPC161700
0.9403 High Similarity NPC3293
0.9403 High Similarity NPC40664
0.9403 High Similarity NPC138350
0.9403 High Similarity NPC197723
0.9403 High Similarity NPC165482
0.9398 High Similarity NPC48863
0.9398 High Similarity NPC130496
0.9398 High Similarity NPC188555
0.9398 High Similarity NPC107478
0.9398 High Similarity NPC13745
0.9398 High Similarity NPC170694
0.9398 High Similarity NPC251981
0.9394 High Similarity NPC299144
0.9394 High Similarity NPC470270
0.9357 High Similarity NPC478237
0.9357 High Similarity NPC175976
0.9348 High Similarity NPC76176
0.9348 High Similarity NPC138227
0.9348 High Similarity NPC469313
0.9348 High Similarity NPC168579
0.9343 High Similarity NPC5262
0.9343 High Similarity NPC472714
0.9333 High Similarity NPC124149
0.9333 High Similarity NPC195196
0.9323 High Similarity NPC215833
0.9323 High Similarity NPC69513
0.9318 High Similarity NPC469698
0.9318 High Similarity NPC473412
0.9313 High Similarity NPC218003
0.9313 High Similarity NPC307110
0.9313 High Similarity NPC248355
0.9291 High Similarity NPC286235
0.9291 High Similarity NPC51328
0.9291 High Similarity NPC55158
0.9291 High Similarity NPC106138
0.9286 High Similarity NPC15538
0.9286 High Similarity NPC473480
0.9275 High Similarity NPC37793
0.9259 High Similarity NPC25695
0.9259 High Similarity NPC172818
0.9259 High Similarity NPC199459
0.9259 High Similarity NPC177035
0.9259 High Similarity NPC52277
0.9254 High Similarity NPC187194
0.9248 High Similarity NPC184447
0.9248 High Similarity NPC7903
0.9248 High Similarity NPC16208
0.9248 High Similarity NPC35932
0.9248 High Similarity NPC160991
0.9237 High Similarity NPC302378
0.922 High Similarity NPC130449
0.922 High Similarity NPC248132
0.9209 High Similarity NPC473046
0.9209 High Similarity NPC472712
0.9209 High Similarity NPC118385
0.9209 High Similarity NPC472713
0.9209 High Similarity NPC187774
0.9203 High Similarity NPC157816
0.9197 High Similarity NPC106944
0.9173 High Similarity NPC65942
0.9173 High Similarity NPC472597
0.9173 High Similarity NPC248307
0.9167 High Similarity NPC166040
0.9137 High Similarity NPC46092
0.9137 High Similarity NPC185307
0.9137 High Similarity NPC478239
0.9137 High Similarity NPC81638
0.9137 High Similarity NPC470950
0.913 High Similarity NPC89686
0.913 High Similarity NPC273932
0.913 High Similarity NPC257095
0.913 High Similarity NPC210192
0.9118 High Similarity NPC16435
0.9118 High Similarity NPC306441
0.9118 High Similarity NPC104167
0.9111 High Similarity NPC310854
0.9111 High Similarity NPC476411
0.9111 High Similarity NPC87696
0.9111 High Similarity NPC35731
0.9104 High Similarity NPC253105
0.9104 High Similarity NPC201587
0.9104 High Similarity NPC252833
0.9098 High Similarity NPC472024
0.9098 High Similarity NPC80600
0.9098 High Similarity NPC472338
0.9097 High Similarity NPC21902
0.9091 High Similarity NPC472710
0.9091 High Similarity NPC472709
0.9085 High Similarity NPC280945
0.9078 High Similarity NPC199928
0.9071 High Similarity NPC129417
0.9071 High Similarity NPC283995
0.9071 High Similarity NPC470235
0.9065 High Similarity NPC476356
0.9058 High Similarity NPC210478
0.9044 High Similarity NPC47398
0.9044 High Similarity NPC470356
0.9044 High Similarity NPC94750
0.9044 High Similarity NPC474206
0.9044 High Similarity NPC112246
0.9044 High Similarity NPC121812
0.9044 High Similarity NPC260898
0.9044 High Similarity NPC234333
0.9044 High Similarity NPC61946
0.9044 High Similarity NPC112939
0.9037 High Similarity NPC25821
0.9037 High Similarity NPC6836
0.9034 High Similarity NPC78809
0.9034 High Similarity NPC150442
0.903 High Similarity NPC30043
0.903 High Similarity NPC469613
0.903 High Similarity NPC470095
0.903 High Similarity NPC166168
0.903 High Similarity NPC470096
0.903 High Similarity NPC469625
0.903 High Similarity NPC9912
0.903 High Similarity NPC475067
0.9028 High Similarity NPC473621
0.9023 High Similarity NPC218856
0.9023 High Similarity NPC470633
0.9023 High Similarity NPC210623
0.9023 High Similarity NPC190629
0.9023 High Similarity NPC228769
0.9023 High Similarity NPC273295
0.9023 High Similarity NPC3439
0.9023 High Similarity NPC222004
0.9023 High Similarity NPC86030
0.9023 High Similarity NPC226788
0.9023 High Similarity NPC26653
0.9023 High Similarity NPC470258
0.9023 High Similarity NPC270849
0.9023 High Similarity NPC202582
0.9023 High Similarity NPC5851
0.9023 High Similarity NPC285339
0.9021 High Similarity NPC283839
0.9021 High Similarity NPC90896
0.9008 High Similarity NPC12308
0.9007 High Similarity NPC38041
0.9007 High Similarity NPC22150
0.9007 High Similarity NPC18979
0.9007 High Similarity NPC279298
0.8993 High Similarity NPC472711
0.8993 High Similarity NPC186406
0.8986 High Similarity NPC22517
0.8986 High Similarity NPC100389
0.8986 High Similarity NPC292487
0.8978 High Similarity NPC302701
0.8978 High Similarity NPC227503
0.8978 High Similarity NPC269091
0.8978 High Similarity NPC474639
0.8978 High Similarity NPC230734
0.8971 High Similarity NPC470881
0.8966 High Similarity NPC169404
0.8966 High Similarity NPC53587
0.8966 High Similarity NPC176186
0.8963 High Similarity NPC470752
0.8955 High Similarity NPC469612
0.8955 High Similarity NPC469614
0.8951 High Similarity NPC270751
0.8951 High Similarity NPC93924
0.8947 High Similarity NPC72529
0.8944 High Similarity NPC112861
0.8944 High Similarity NPC476865
0.8936 High Similarity NPC292443

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98777 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8881 High Similarity NPD3027 Phase 3
0.8824 High Similarity NPD1613 Approved
0.8824 High Similarity NPD1612 Clinical (unspecified phase)
0.8759 High Similarity NPD1653 Approved
0.8529 High Similarity NPD1529 Clinical (unspecified phase)
0.8456 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8322 Intermediate Similarity NPD7266 Discontinued
0.8291 Intermediate Similarity NPD7054 Approved
0.8284 Intermediate Similarity NPD1091 Approved
0.8239 Intermediate Similarity NPD7074 Phase 3
0.8239 Intermediate Similarity NPD7472 Approved
0.8113 Intermediate Similarity NPD3818 Discontinued
0.8075 Intermediate Similarity NPD6797 Phase 2
0.8029 Intermediate Similarity NPD2983 Phase 2
0.8029 Intermediate Similarity NPD2982 Phase 2
0.8025 Intermediate Similarity NPD7251 Discontinued
0.8013 Intermediate Similarity NPD6234 Discontinued
0.8 Intermediate Similarity NPD7228 Approved
0.7975 Intermediate Similarity NPD7808 Phase 3
0.7975 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD6674 Discontinued
0.7956 Intermediate Similarity NPD2981 Phase 2
0.7926 Intermediate Similarity NPD1357 Approved
0.7922 Intermediate Similarity NPD1934 Approved
0.7922 Intermediate Similarity NPD37 Approved
0.7885 Intermediate Similarity NPD4967 Phase 2
0.7885 Intermediate Similarity NPD4965 Approved
0.7885 Intermediate Similarity NPD4966 Approved
0.7872 Intermediate Similarity NPD4908 Phase 1
0.7834 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD3018 Phase 2
0.7799 Intermediate Similarity NPD7199 Phase 2
0.7771 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD6166 Phase 2
0.7764 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7754 Intermediate Similarity NPD1610 Phase 2
0.7754 Intermediate Similarity NPD3705 Approved
0.7721 Intermediate Similarity NPD1548 Phase 1
0.7643 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD2801 Approved
0.7594 Intermediate Similarity NPD228 Approved
0.7593 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD6559 Discontinued
0.7566 Intermediate Similarity NPD5058 Phase 3
0.7552 Intermediate Similarity NPD2861 Phase 2
0.7515 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7240 Approved
0.7485 Intermediate Similarity NPD7685 Pre-registration
0.7484 Intermediate Similarity NPD3817 Phase 2
0.7452 Intermediate Similarity NPD4675 Approved
0.7452 Intermediate Similarity NPD4678 Approved
0.7448 Intermediate Similarity NPD4625 Phase 3
0.7438 Intermediate Similarity NPD3882 Suspended
0.7421 Intermediate Similarity NPD2978 Approved
0.7421 Intermediate Similarity NPD2977 Approved
0.7415 Intermediate Similarity NPD1558 Phase 1
0.7403 Intermediate Similarity NPD1511 Approved
0.7403 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD4749 Approved
0.7391 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6190 Approved
0.7383 Intermediate Similarity NPD4538 Approved
0.7383 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4536 Approved
0.7372 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD1652 Phase 2
0.7353 Intermediate Similarity NPD5283 Phase 1
0.7321 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD8455 Phase 2
0.7308 Intermediate Similarity NPD1512 Approved
0.7305 Intermediate Similarity NPD5844 Phase 1
0.7297 Intermediate Similarity NPD3620 Phase 2
0.7297 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7843 Approved
0.7279 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7157 Approved
0.7239 Intermediate Similarity NPD2684 Approved
0.7237 Intermediate Similarity NPD3540 Phase 1
0.7233 Intermediate Similarity NPD4380 Phase 2
0.7219 Intermediate Similarity NPD5588 Approved
0.7219 Intermediate Similarity NPD5960 Phase 3
0.7212 Intermediate Similarity NPD3787 Discontinued
0.7205 Intermediate Similarity NPD1465 Phase 2
0.7181 Intermediate Similarity NPD4060 Phase 1
0.7179 Intermediate Similarity NPD4357 Discontinued
0.7178 Intermediate Similarity NPD7075 Discontinued
0.7176 Intermediate Similarity NPD291 Approved
0.7171 Intermediate Similarity NPD3539 Phase 1
0.717 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD290 Approved
0.7161 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5536 Phase 2
0.7143 Intermediate Similarity NPD3060 Approved
0.7134 Intermediate Similarity NPD4123 Phase 3
0.7133 Intermediate Similarity NPD422 Phase 1
0.7133 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD230 Phase 1
0.7133 Intermediate Similarity NPD5124 Phase 1
0.7126 Intermediate Similarity NPD6841 Approved
0.7126 Intermediate Similarity NPD6843 Phase 3
0.7126 Intermediate Similarity NPD6842 Approved
0.7124 Intermediate Similarity NPD1375 Discontinued
0.7114 Intermediate Similarity NPD6233 Phase 2
0.711 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1242 Phase 1
0.709 Intermediate Similarity NPD968 Approved
0.7088 Intermediate Similarity NPD7680 Approved
0.707 Intermediate Similarity NPD7213 Phase 3
0.707 Intermediate Similarity NPD7212 Phase 2
0.7063 Intermediate Similarity NPD4005 Discontinued
0.7059 Intermediate Similarity NPD3454 Phase 3
0.7059 Intermediate Similarity NPD3021 Approved
0.7059 Intermediate Similarity NPD3022 Approved
0.7059 Intermediate Similarity NPD556 Approved
0.7055 Intermediate Similarity NPD5402 Approved
0.7052 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD3751 Discontinued
0.7039 Intermediate Similarity NPD7097 Phase 1
0.7032 Intermediate Similarity NPD4237 Approved
0.7032 Intermediate Similarity NPD4236 Phase 3
0.7032 Intermediate Similarity NPD4162 Approved
0.7032 Intermediate Similarity NPD5177 Phase 3
0.7025 Intermediate Similarity NPD7447 Phase 1
0.7013 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6584 Phase 3
0.7006 Intermediate Similarity NPD6232 Discontinued
0.7 Intermediate Similarity NPD3687 Approved
0.7 Intermediate Similarity NPD3686 Approved
0.7 Intermediate Similarity NPD6671 Approved
0.6994 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4108 Discontinued
0.6993 Remote Similarity NPD5126 Approved
0.6993 Remote Similarity NPD6516 Phase 2
0.6993 Remote Similarity NPD5125 Phase 3
0.6993 Remote Similarity NPD5846 Approved
0.6988 Remote Similarity NPD5494 Approved
0.6987 Remote Similarity NPD4628 Phase 3
0.6986 Remote Similarity NPD8651 Approved
0.6981 Remote Similarity NPD1940 Clinical (unspecified phase)
0.698 Remote Similarity NPD7095 Approved
0.6968 Remote Similarity NPD1549 Phase 2
0.6943 Remote Similarity NPD2677 Approved
0.6943 Remote Similarity NPD2219 Phase 1
0.6937 Remote Similarity NPD5403 Approved
0.6936 Remote Similarity NPD7549 Discontinued
0.6933 Remote Similarity NPD6801 Discontinued
0.6933 Remote Similarity NPD3384 Approved
0.6933 Remote Similarity NPD3382 Approved
0.6933 Remote Similarity NPD6798 Discontinued
0.6933 Remote Similarity NPD3383 Approved
0.6918 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6913 Remote Similarity NPD3537 Clinical (unspecified phase)
0.6913 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6908 Remote Similarity NPD4340 Discontinued
0.6908 Remote Similarity NPD1933 Approved
0.6908 Remote Similarity NPD5735 Approved
0.6892 Remote Similarity NPD6917 Clinical (unspecified phase)
0.689 Remote Similarity NPD7819 Suspended
0.689 Remote Similarity NPD5773 Approved
0.689 Remote Similarity NPD5772 Approved
0.6887 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6886 Remote Similarity NPD5677 Discontinued
0.6882 Remote Similarity NPD7473 Discontinued
0.6879 Remote Similarity NPD6331 Phase 2
0.6879 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4110 Phase 3
0.6879 Remote Similarity NPD4535 Phase 3
0.6871 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6863 Remote Similarity NPD6653 Approved
0.6857 Remote Similarity NPD8054 Approved
0.6857 Remote Similarity NPD8053 Approved
0.6855 Remote Similarity NPD6799 Approved
0.6855 Remote Similarity NPD1774 Approved
0.6849 Remote Similarity NPD2231 Phase 2
0.6849 Remote Similarity NPD2235 Phase 2
0.6848 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6846 Remote Similarity NPD9494 Approved
0.6839 Remote Similarity NPD6099 Approved
0.6839 Remote Similarity NPD6100 Approved
0.6832 Remote Similarity NPD2122 Discontinued
0.6829 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6821 Remote Similarity NPD3144 Approved
0.6821 Remote Similarity NPD3145 Approved
0.6818 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6813 Remote Similarity NPD5401 Approved
0.6813 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6803 Remote Similarity NPD3685 Discontinued
0.6803 Remote Similarity NPD6582 Phase 2
0.6803 Remote Similarity NPD6583 Phase 3
0.68 Remote Similarity NPD8313 Approved
0.68 Remote Similarity NPD8312 Approved

Structure

External Identifiers

PubChem CID   637213
ChEMBL   CHEMBL109266
ZINC  

Physicochemical Properties

Molecular Weight:  420.14
ALogP:  -2.7118
MLogP:  2.78
XLogP:  1.673
# Rotatable Bonds:  13
Polar Surface Area:  149.07
# H-Bond Aceptor:  5
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  30

Download Data

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