Natural Product: NPC229687

Natural Product ID:  NPC229687
Common Name:   2',3''-Dihydroxy-4''-Methoxydibenzoyl-4'-O-Beta-D-Xylopyranosyl-(1->6)-Beta-D-Glucopyranoside
IUPAC Name:   1-(3-hydroxy-4-methoxyphenyl)-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethane-1,2-dione
Synonyms:  
Molecular Formula:   C26H30O15
Standard InCHIKey:  UMKKAPDEEXWINW-ZHVPDQJESA-N
Standard InCHI:  InChI=1S/C26H30O15/c1-37-16-5-2-10(6-14(16)28)18(30)19(31)12-4-3-11(7-13(12)27)40-26-24(36)22(34)21(33)17(41-26)9-39-25-23(35)20(32)15(29)8-38-25/h2-7,15,17,20-29,32-36H,8-9H2,1H3/t15-,17-,20+,21-,22+,23-,24-,25+,26-/m1/s1
Canonical SMILES:  COc1ccc(cc1O)C(=O)C(=O)c1ccc(cc1O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)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
NPO19231 Sophora flavescens Species Fabaceae Eukaryota UNPD*
NPO27367 Latrunculia magnifica Species Latrunculiidae Eukaryota UNPD*
NPO4051 Tricholoma columbetta Species Tricholomataceae Eukaryota UNPD*
NPO19511 Dolabella californica Species Aplysiidae Eukaryota UNPD*
NPO16141 Piper regnellii Species Piperaceae Eukaryota UNPD*
NPO20598 Lythrum salicaria Species Lythraceae Eukaryota UNPD*
NPO18473 Plathymenia reticulata Species Fabaceae Eukaryota UNPD*
NPO19036 Esenbeckia leiocarpa Species Rutaceae Eukaryota UNPD*
NPO21562 Diospyros assimilis Species Ebenaceae Eukaryota UNPD*
NPO20084 Atraphaxis spinosa Species Polygonaceae Eukaryota UNPD*
NPO17258 Rhinella marina Species Bufonidae Eukaryota UNPD*
NPO13449 Syzygium polycephaloides Species Myrtaceae Eukaryota UNPD*
NPO19810 Myxococcus stipitatus Species Myxococcaceae Bacteria UNPD*
NPO17560 Pancratium sickenbergeri Species Amaryllidaceae Eukaryota UNPD*
NPO17334 Onopordum acanthium Species Asteraceae Eukaryota UNPD*
NPO21631 Faramea salicifolia Species Rubiaceae Eukaryota UNPD*
NPO18668 Asimina parviflora Species Annonaceae Eukaryota UNPD*
NPO19912 Vellozia nanuzae Species Velloziaceae Eukaryota UNPD*
NPO20142 Embelia schimperi Species Primulaceae Eukaryota UNPD*
NPO20489 Epilobium hirsutum Species Onagraceae Eukaryota UNPD*
NPO5903 Conus mus Species Conidae Eukaryota UNPD*
NPO21243 Siphonaria capensis Species Siphonariidae Eukaryota UNPD*
NPO21108 Eria anomala Species Orchidaceae Eukaryota UNPD*
NPO18143 Dendronephthya griffini Species Nephtheidae Eukaryota UNPD*
NPO19995 Baccharis neglecta Species Asteraceae Eukaryota UNPD*
NPO19667 Hypericum styphelioides Species Hypericaceae Eukaryota UNPD*
NPO28202 Helichrysum tenuifolium Species Asteraceae Eukaryota UNPD*
NPO12056 Chondrodendron tomentosum Species Menispermaceae Eukaryota UNPD*
NPO20843 Monsonia senegalensis Species Geraniaceae Eukaryota UNPD*
NPO21495 Abelia chinensis Species Caprifoliaceae Eukaryota UNPD*
NPO21375 Euphorbia nematocypha Species Euphorbiaceae Eukaryota UNPD*
NPO20624 Simarouba glauca Species Simaroubaceae Eukaryota UNPD*
NPO18286 Lycogala epidendrum Species Enteridiidae Eukaryota UNPD*
NPO12313 Haplophyllum obtusifolium Species Rutaceae Eukaryota UNPD*
NPO20680 Erythrina melanacantha Species Fabaceae Eukaryota UNPD*
NPO22961 Cordia leucocephala Species Cordiaceae Eukaryota UNPD*
NPO14241 Planchonia grandis Species Asterolecaniidae Eukaryota UNPD*
NPO21170 Embelia parviflora Species Primulaceae Eukaryota UNPD*
NPO17849 Centaurea maculosa Species Asteraceae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota UNPD*
NPO16569 Gymnocalycium schickendantzii Species Cactaceae Eukaryota UNPD*
NPO18866 Pteridium esculentum Species Dennstaedtiaceae Eukaryota UNPD*
NPO28072 Theonella conica Species Theonellidae Eukaryota UNPD*
NPO20421 Aplophyllum alberti-regelii NA NA NA UNPD*
NPO11523 Erysimum leptophyllum Species Brassicaceae Eukaryota UNPD*
NPO21038 Lemaireocereus longispinus Species Cactaceae Eukaryota UNPD*
NPO9968 Shigella dysenteriae Species Enterobacteriaceae Bacteria UNPD*
NPO20879 Clerodendrum bungei Species Lamiaceae Eukaryota UNPD*
NPO22937 Vernonia fagifolia Species Asteraceae Eukaryota UNPD*
NPO3152 Morella rubra Species Myricaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 27.1 % 24295087
NPT2 Others Unspecified Survival = 61.3 % 24295087

  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 NPC229687 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
0.9937 High Similarity NPC45400
0.9873 High Similarity NPC5778
0.9873 High Similarity NPC236934
0.9812 High Similarity NPC183357
0.9812 High Similarity NPC231194
0.9812 High Similarity NPC21190
0.9812 High Similarity NPC44558
0.9812 High Similarity NPC474434
0.9812 High Similarity NPC22195
0.9812 High Similarity NPC471416
0.9812 High Similarity NPC34287
0.9812 High Similarity NPC51326
0.9811 High Similarity NPC229729
0.981 High Similarity NPC165720
0.9752 High Similarity NPC205076
0.9752 High Similarity NPC307518
0.9752 High Similarity NPC48773
0.975 High Similarity NPC170675
0.975 High Similarity NPC472381
0.975 High Similarity NPC210042
0.975 High Similarity NPC183036
0.975 High Similarity NPC471457
0.975 High Similarity NPC95855
0.975 High Similarity NPC472383
0.975 High Similarity NPC112755
0.9747 High Similarity NPC88043
0.9747 High Similarity NPC29830
0.9691 High Similarity NPC239549
0.9691 High Similarity NPC236191
0.9691 High Similarity NPC51774
0.9689 High Similarity NPC105095
0.9689 High Similarity NPC44328
0.9689 High Similarity NPC224462
0.9689 High Similarity NPC105511
0.9689 High Similarity NPC177731
0.9689 High Similarity NPC212748
0.9689 High Similarity NPC79056
0.9688 High Similarity NPC93099
0.9688 High Similarity NPC477502
0.9688 High Similarity NPC116745
0.9686 High Similarity NPC311830
0.9686 High Similarity NPC22832
0.9684 High Similarity NPC300537
0.9684 High Similarity NPC127782
0.963 High Similarity NPC235575
0.963 High Similarity NPC301683
0.963 High Similarity NPC261254
0.963 High Similarity NPC472386
0.963 High Similarity NPC267254
0.963 High Similarity NPC256760
0.9627 High Similarity NPC195257
0.9627 High Similarity NPC226294
0.9627 High Similarity NPC52382
0.9627 High Similarity NPC61791
0.9627 High Similarity NPC43587
0.9627 High Similarity NPC201292
0.9627 High Similarity NPC58053
0.9627 High Similarity NPC209296
0.9627 High Similarity NPC270578
0.9627 High Similarity NPC475942
0.9627 High Similarity NPC293629
0.9627 High Similarity NPC186807
0.9627 High Similarity NPC93337
0.9627 High Similarity NPC469931
0.9627 High Similarity NPC45638
0.9627 High Similarity NPC105025
0.9625 High Similarity NPC210073
0.9625 High Similarity NPC115674
0.9623 High Similarity NPC284960
0.9623 High Similarity NPC309025
0.9623 High Similarity NPC19709
0.9623 High Similarity NPC270335
0.9623 High Similarity NPC191306
0.9623 High Similarity NPC168822
0.9623 High Similarity NPC222936
0.9623 High Similarity NPC243930
0.9623 High Similarity NPC88023
0.9571 High Similarity NPC204693
0.9571 High Similarity NPC208668
0.9571 High Similarity NPC172033
0.9571 High Similarity NPC175230
0.9571 High Similarity NPC88560
0.9568 High Similarity NPC149011
0.9568 High Similarity NPC150767
0.9568 High Similarity NPC206123
0.9568 High Similarity NPC204937
0.9568 High Similarity NPC78734
0.9565 High Similarity NPC92565
0.9565 High Similarity NPC135345
0.9565 High Similarity NPC160156
0.9565 High Similarity NPC58716
0.9565 High Similarity NPC146792
0.9565 High Similarity NPC45618
0.956 High Similarity NPC77660
0.956 High Similarity NPC148273
0.956 High Similarity NPC189142
0.956 High Similarity NPC473043
0.9515 High Similarity NPC476621
0.9515 High Similarity NPC476623
0.9515 High Similarity NPC476620
0.9515 High Similarity NPC472387
0.9515 High Similarity NPC476618
0.9515 High Similarity NPC476619
0.9515 High Similarity NPC476622
0.9512 High Similarity NPC102028
0.9512 High Similarity NPC108202
0.9512 High Similarity NPC142996
0.9509 High Similarity NPC259152
0.9509 High Similarity NPC475155
0.9509 High Similarity NPC67134
0.9509 High Similarity NPC47140
0.9509 High Similarity NPC476405
0.9509 High Similarity NPC254540
0.9509 High Similarity NPC172807
0.9509 High Similarity NPC211594
0.9509 High Similarity NPC156977
0.9509 High Similarity NPC3583
0.9509 High Similarity NPC117260
0.9506 High Similarity NPC86008
0.9506 High Similarity NPC225434
0.9506 High Similarity NPC203050
0.9506 High Similarity NPC223747
0.9506 High Similarity NPC105283
0.9506 High Similarity NPC120099
0.9506 High Similarity NPC219904
0.9503 High Similarity NPC21100
0.9503 High Similarity NPC197285
0.9503 High Similarity NPC99957
0.9503 High Similarity NPC181616
0.9503 High Similarity NPC8856
0.95 High Similarity NPC127415
0.9497 High Similarity NPC182045
0.9455 High Similarity NPC268533
0.9455 High Similarity NPC472380
0.9455 High Similarity NPC472384
0.9455 High Similarity NPC169733
0.9455 High Similarity NPC472382
0.9451 High Similarity NPC101026
0.9451 High Similarity NPC42773
0.9451 High Similarity NPC4390
0.9451 High Similarity NPC472993
0.9451 High Similarity NPC45522
0.9451 High Similarity NPC24043
0.9451 High Similarity NPC21666
0.9451 High Similarity NPC169977
0.9448 High Similarity NPC67105
0.9448 High Similarity NPC245014
0.9448 High Similarity NPC293004
0.9448 High Similarity NPC282987
0.9448 High Similarity NPC218488
0.9448 High Similarity NPC84265
0.9448 High Similarity NPC72249
0.9448 High Similarity NPC95866
0.9448 High Similarity NPC285197
0.9444 High Similarity NPC84362
0.9444 High Similarity NPC317489
0.9444 High Similarity NPC325555
0.9444 High Similarity NPC52550
0.9444 High Similarity NPC223424
0.9444 High Similarity NPC265530
0.9444 High Similarity NPC226304
0.9444 High Similarity NPC127546
0.9444 High Similarity NPC173637
0.9441 High Similarity NPC475497
0.9441 High Similarity NPC475366
0.9441 High Similarity NPC277205
0.9441 High Similarity NPC284277
0.9434 High Similarity NPC110349
0.9398 High Similarity NPC168584
0.9398 High Similarity NPC241196
0.9394 High Similarity NPC16194
0.9394 High Similarity NPC472607
0.9394 High Similarity NPC19108
0.9394 High Similarity NPC294815
0.9394 High Similarity NPC473327
0.9394 High Similarity NPC477848
0.9394 High Similarity NPC198199
0.9394 High Similarity NPC294629
0.9394 High Similarity NPC220173
0.9394 High Similarity NPC476472
0.939 High Similarity NPC155877
0.939 High Similarity NPC134532
0.939 High Similarity NPC471748
0.939 High Similarity NPC203259
0.939 High Similarity NPC176740
0.939 High Similarity NPC190003
0.939 High Similarity NPC26230
0.939 High Similarity NPC153755
0.939 High Similarity NPC33054
0.939 High Similarity NPC180918
0.939 High Similarity NPC175107
0.939 High Similarity NPC471725
0.939 High Similarity NPC60735
0.9387 High Similarity NPC227508
0.9383 High Similarity NPC113968
0.9383 High Similarity NPC135599
0.9383 High Similarity NPC56077
0.9383 High Similarity NPC118284
0.9383 High Similarity NPC277174
0.9383 High Similarity NPC73855

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC229687 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
0.9689 High Similarity NPD7074 Phase 3
0.9627 High Similarity NPD7054 Approved
0.9568 High Similarity NPD7472 Approved
0.9565 High Similarity NPD3818 Discontinued
0.939 High Similarity NPD6797 Phase 2
0.9333 High Similarity NPD7251 Discontinued
0.9308 High Similarity NPD4381 Clinical (unspecified phase)
0.9277 High Similarity NPD4338 Clinical (unspecified phase)
0.9277 High Similarity NPD7808 Phase 3
0.9202 High Similarity NPD6168 Clinical (unspecified phase)
0.9202 High Similarity NPD6166 Phase 2
0.9202 High Similarity NPD6167 Clinical (unspecified phase)
0.9177 High Similarity NPD1934 Approved
0.9 High Similarity NPD2393 Clinical (unspecified phase)
0.8922 High Similarity NPD7804 Clinical (unspecified phase)
0.8889 High Similarity NPD4868 Clinical (unspecified phase)
0.8882 High Similarity NPD2801 Approved
0.8773 High Similarity NPD3882 Suspended
0.8696 High Similarity NPD4380 Phase 2
0.8655 High Similarity NPD6559 Discontinued
0.8614 High Similarity NPD5494 Approved
0.8598 High Similarity NPD3817 Phase 2
0.8596 High Similarity NPD7993 Clinical (unspecified phase)
0.8553 High Similarity NPD1511 Approved
0.8494 Intermediate Similarity NPD7075 Discontinued
0.8447 Intermediate Similarity NPD1512 Approved
0.8424 Intermediate Similarity NPD1465 Phase 2
0.8354 Intermediate Similarity NPD1549 Phase 2
0.8313 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8266 Intermediate Similarity NPD5844 Phase 1
0.8263 Intermediate Similarity NPD5402 Approved
0.8253 Intermediate Similarity NPD6801 Discontinued
0.8232 Intermediate Similarity NPD1653 Approved
0.8208 Intermediate Similarity NPD7228 Approved
0.8204 Intermediate Similarity NPD7819 Suspended
0.8193 Intermediate Similarity NPD7411 Suspended
0.8187 Intermediate Similarity NPD6232 Discontinued
0.8171 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.816 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.815 Intermediate Similarity NPD7473 Discontinued
0.8136 Intermediate Similarity NPD8313 Approved
0.8136 Intermediate Similarity NPD8312 Approved
0.8129 Intermediate Similarity NPD6959 Discontinued
0.8125 Intermediate Similarity NPD7685 Pre-registration
0.8122 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD2796 Approved
0.8098 Intermediate Similarity NPD6799 Approved
0.8061 Intermediate Similarity NPD5403 Approved
0.805 Intermediate Similarity NPD1510 Phase 2
0.8049 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD7199 Phase 2
0.8012 Intermediate Similarity NPD6234 Discontinued
0.8011 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3751 Discontinued
0.795 Intermediate Similarity NPD7266 Discontinued
0.7944 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD5401 Approved
0.7929 Intermediate Similarity NPD37 Approved
0.7917 Intermediate Similarity NPD6599 Discontinued
0.7911 Intermediate Similarity NPD1613 Approved
0.7911 Intermediate Similarity NPD943 Approved
0.7911 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD1240 Approved
0.7895 Intermediate Similarity NPD4966 Approved
0.7895 Intermediate Similarity NPD4967 Phase 2
0.7895 Intermediate Similarity NPD4965 Approved
0.7886 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7874 Intermediate Similarity NPD3787 Discontinued
0.7865 Intermediate Similarity NPD8151 Discontinued
0.7829 Intermediate Similarity NPD3926 Phase 2
0.7829 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7819 Intermediate Similarity NPD6780 Approved
0.7819 Intermediate Similarity NPD6776 Approved
0.7819 Intermediate Similarity NPD6779 Approved
0.7819 Intermediate Similarity NPD6781 Approved
0.7819 Intermediate Similarity NPD6777 Approved
0.7819 Intermediate Similarity NPD6778 Approved
0.7819 Intermediate Similarity NPD6782 Approved
0.7812 Intermediate Similarity NPD1607 Approved
0.7805 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD7584 Approved
0.775 Intermediate Similarity NPD1933 Approved
0.775 Intermediate Similarity NPD230 Phase 1
0.7746 Intermediate Similarity NPD3749 Approved
0.7722 Intermediate Similarity NPD7240 Approved
0.7722 Intermediate Similarity NPD3027 Phase 3
0.7714 Intermediate Similarity NPD1247 Approved
0.7701 Intermediate Similarity NPD919 Approved
0.7697 Intermediate Similarity NPD4628 Phase 3
0.7697 Intermediate Similarity NPD3750 Approved
0.7696 Intermediate Similarity NPD7698 Approved
0.7696 Intermediate Similarity NPD7435 Discontinued
0.7696 Intermediate Similarity NPD7697 Approved
0.7696 Intermediate Similarity NPD7696 Phase 3
0.7688 Intermediate Similarity NPD7768 Phase 2
0.7674 Intermediate Similarity NPD8455 Phase 2
0.7658 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD6190 Approved
0.764 Intermediate Similarity NPD447 Suspended
0.7629 Intermediate Similarity NPD7701 Phase 2
0.7602 Intermediate Similarity NPD7783 Phase 2
0.7602 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD7870 Phase 2
0.7565 Intermediate Similarity NPD7871 Phase 2
0.7561 Intermediate Similarity NPD2935 Discontinued
0.7561 Intermediate Similarity NPD1551 Phase 2
0.7553 Intermediate Similarity NPD6534 Approved
0.7553 Intermediate Similarity NPD6535 Approved
0.7552 Intermediate Similarity NPD6823 Phase 2
0.7539 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD7699 Phase 2
0.7526 Intermediate Similarity NPD7700 Phase 2
0.7515 Intermediate Similarity NPD2532 Approved
0.7515 Intermediate Similarity NPD2534 Approved
0.7515 Intermediate Similarity NPD2533 Approved
0.7473 Intermediate Similarity NPD5953 Discontinued
0.7462 Intermediate Similarity NPD7874 Approved
0.7462 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3226 Approved
0.7427 Intermediate Similarity NPD920 Approved
0.7425 Intermediate Similarity NPD2800 Approved
0.7424 Intermediate Similarity NPD7801 Approved
0.7396 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3748 Approved
0.7394 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD8320 Phase 1
0.7385 Intermediate Similarity NPD8319 Approved
0.7382 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD9494 Approved
0.7363 Intermediate Similarity NPD7286 Phase 2
0.736 Intermediate Similarity NPD7585 Approved
0.7341 Intermediate Similarity NPD7458 Discontinued
0.7333 Intermediate Similarity NPD7680 Approved
0.7326 Intermediate Similarity NPD8150 Discontinued
0.7326 Intermediate Similarity NPD8434 Phase 2
0.7321 Intermediate Similarity NPD6674 Discontinued
0.7316 Intermediate Similarity NPD6212 Phase 3
0.7316 Intermediate Similarity NPD6213 Phase 3
0.7316 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7583 Approved
0.731 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD2346 Discontinued
0.7305 Intermediate Similarity NPD2344 Approved
0.7289 Intermediate Similarity NPD2799 Discontinued
0.7246 Intermediate Similarity NPD6099 Approved
0.7246 Intermediate Similarity NPD6100 Approved
0.7239 Intermediate Similarity NPD2313 Discontinued
0.7238 Intermediate Similarity NPD5242 Approved
0.7233 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5353 Approved
0.7222 Intermediate Similarity NPD6832 Phase 2
0.7222 Intermediate Similarity NPD4908 Phase 1
0.7219 Intermediate Similarity NPD1243 Approved
0.7216 Intermediate Similarity NPD6844 Discontinued
0.7215 Intermediate Similarity NPD1091 Approved
0.7215 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD2798 Approved
0.7204 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4363 Phase 3
0.7188 Intermediate Similarity NPD4360 Phase 2
0.7186 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7033 Discontinued
0.7176 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD6651 Approved
0.7151 Intermediate Similarity NPD7390 Discontinued
0.7143 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1203 Approved
0.7135 Intermediate Similarity NPD2309 Approved
0.7134 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD8127 Discontinued
0.711 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5005 Approved
0.7107 Intermediate Similarity NPD5006 Approved
0.7105 Intermediate Similarity NPD6842 Approved
0.7105 Intermediate Similarity NPD6841 Approved
0.7105 Intermediate Similarity NPD6843 Phase 3
0.7101 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD5710 Approved
0.7088 Intermediate Similarity NPD5711 Approved
0.7063 Intermediate Similarity NPD9269 Phase 2
0.7062 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD6385 Approved
0.7062 Intermediate Similarity NPD6386 Approved
0.7037 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6798 Discontinued
0.7018 Intermediate Similarity NPD1652 Phase 2
0.7011 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5123 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   73603972
ChEMBL   CHEMBL3092850
ZINC  

Physicochemical Properties

Molecular Weight:  582.16
ALogP:  -4.9434
MLogP:  2.67
XLogP:  -1.244
# Rotatable Bonds:  18
Polar Surface Area:  242.13
# H-Bond Aceptor:  11
# H-Bond Donor:  8
# Rings:  4
# Heavy Atoms:  41

Download Data

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