Natural Product: NPC116745

Natural Product ID:  NPC116745
Common Name:   [(2R,3R,4R,5R,6S)-3,4-Diacetyloxy-6-[4-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]-2,3-Dihydroxyphenoxy]-5-Hydroxyoxan-2-Yl]Methyl Acetate
IUPAC Name:   [(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-5-hydroxyoxan-2-yl]methyl acetate
Synonyms:  
Molecular Formula:   C27H28O14
Standard InCHIKey:  CKEPCIVNAQZGCM-IBLDPMEOSA-N
Standard InCHI:  InChI=1S/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)26(39-14(3)30)24(36)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21-,24-,25-,26-,27-/m1/s1
Canonical SMILES:  CC(=O)OC[C@H]1O[C@@H](Oc2ccc(c(c2O)O)C(=O)/C=C/c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)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
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota UNPD*
NPO24405 Farlowia mollis Species Dumontiaceae Eukaryota UNPD*
NPO7066 Gomesa radicans Species Orchidaceae Eukaryota UNPD*
NPO25065 Gardenia imperialis Species Rubiaceae Eukaryota UNPD*
NPO2822 Senecio pseudotites Species Asteraceae Eukaryota UNPD*
NPO249 Dysosma pleianthum Species Berberidaceae Eukaryota UNPD*
NPO24558 Calea lantanoides Species Asteraceae Eukaryota UNPD*
NPO21796 Lepidium graminifolium Species Brassicaceae Eukaryota UNPD*
NPO22025 Drosera indica Species Droseraceae Eukaryota UNPD*
NPO25129 Tricholoma acerbum Species Tricholomataceae Eukaryota UNPD*
NPO23365 Drummondita hassellii Species Rutaceae Eukaryota UNPD*
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota UNPD*
NPO25150 Haliclona cribricutis Species Chalinidae Eukaryota UNPD*
NPO24968 Delphinus globiceps Species Delphinidae Eukaryota UNPD*
NPO24112 Pisaster giganteus Species Asteriidae Eukaryota UNPD*
NPO23286 Galium mollugo Species Rubiaceae Eukaryota UNPD*
NPO24899 Chroogomphus helveticus Species Gomphidiaceae Eukaryota UNPD*
NPO24190 Uncaria sterrophylla Species Rubiaceae Eukaryota UNPD*
NPO23749 Achillea nana Species Asteraceae Eukaryota UNPD*
NPO24321 Vicia amoena Species Fabaceae Eukaryota UNPD*
NPO13694 Rhodococcus erythropolis Species Nocardiaceae Bacteria UNPD*
NPO25225 Radianthus kuekenthali NA NA NA UNPD*
NPO24935 Coronilla cretica Species Fabaceae Eukaryota UNPD*
NPO25104 Grindelia scorzonerifolia Species Asteraceae Eukaryota UNPD*
NPO19691 Mycena fagetorum Species Tricholomataceae Eukaryota UNPD*
NPO23853 Senegalia mellifera Species Fabaceae Eukaryota UNPD*
NPO9392 Elaeodendron alluaudianum Species Celastraceae Eukaryota UNPD*
NPO17874 Mus striatus Species Muridae Eukaryota UNPD*
NPO24657 Bothriocline ripensis Species Asteraceae Eukaryota UNPD*
NPO24753 Ballota limbata Species Lamiaceae Eukaryota UNPD*
NPO24811 Cibotium barometz Species Cibotiaceae Eukaryota UNPD*
NPO24687 Sabadilla officinalis NA NA NA UNPD*
NPO22685 Astragalus bisulcatus Species Fabaceae Eukaryota UNPD*
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota UNPD*
NPO23656 Typha latifolia Species Typhaceae Eukaryota UNPD*
NPO24718 Streptomyces parvulus Species Streptomycetaceae Bacteria UNPD*
NPO19496 Bidens leucantha Species Asteraceae Eukaryota PMID[9090869]
NPO23538 Ephedra distachya Species Ephedraceae Eukaryota UNPD*
NPO24522 Sepia officinalis Species Sepiidae Eukaryota UNPD*
NPO25266 Baccharoides lasiopus Species Asteraceae Eukaryota UNPD*
NPO23108 Pinus flexilis Species Pinaceae Eukaryota UNPD*
NPO28581 Aspergillus fumisynnematus Species Aspergillaceae Eukaryota UNPD*
NPO20454 Bidens pilosa Species Asteraceae Eukaryota UNPD*
NPO24020 Raputia praetermissa NA NA NA UNPD*
NPO23144 Brachyglottis bidwillii Species Asteraceae Eukaryota UNPD*
NPO19819 Trichoderma viride Species Hypocreaceae Eukaryota UNPD*
NPO25190 Lonchocarpus atropurpureus Species Fabaceae Eukaryota UNPD*
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO24491 Flindersia xanthoxyla Species Rutaceae Eukaryota UNPD*
NPO23440 Aconitum napellus Species Ranunculaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 20 ug/ml 9090869

  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 NPC116745 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
0.9809 High Similarity NPC88043
0.9752 High Similarity NPC88560
0.9752 High Similarity NPC172033
0.9752 High Similarity NPC175230
0.975 High Similarity NPC204937
0.975 High Similarity NPC149011
0.9747 High Similarity NPC165720
0.9689 High Similarity NPC172807
0.9689 High Similarity NPC254540
0.9689 High Similarity NPC211594
0.9688 High Similarity NPC229687
0.963 High Similarity NPC4390
0.963 High Similarity NPC472993
0.9627 High Similarity NPC212748
0.9625 High Similarity NPC229729
0.9625 High Similarity NPC45400
0.9623 High Similarity NPC311830
0.9623 High Similarity NPC22832
0.962 High Similarity NPC300537
0.962 High Similarity NPC127782
0.9618 High Similarity NPC203020
0.9618 High Similarity NPC239966
0.9571 High Similarity NPC477848
0.9568 High Similarity NPC153755
0.9568 High Similarity NPC205076
0.9568 High Similarity NPC472386
0.9568 High Similarity NPC190003
0.9568 High Similarity NPC175107
0.9568 High Similarity NPC307518
0.9568 High Similarity NPC48773
0.9565 High Similarity NPC186807
0.9565 High Similarity NPC201292
0.9565 High Similarity NPC58053
0.9565 High Similarity NPC475942
0.9565 High Similarity NPC93337
0.9565 High Similarity NPC226294
0.9565 High Similarity NPC105025
0.9565 High Similarity NPC469931
0.9565 High Similarity NPC45638
0.9563 High Similarity NPC236934
0.9563 High Similarity NPC5778
0.956 High Similarity NPC243930
0.956 High Similarity NPC309025
0.956 High Similarity NPC222936
0.956 High Similarity NPC270335
0.956 High Similarity NPC284960
0.956 High Similarity NPC19709
0.956 High Similarity NPC88023
0.956 High Similarity NPC191306
0.956 High Similarity NPC168822
0.9554 High Similarity NPC160780
0.9554 High Similarity NPC289811
0.9512 High Similarity NPC198324
0.9512 High Similarity NPC472991
0.9512 High Similarity NPC472992
0.9512 High Similarity NPC472385
0.9512 High Similarity NPC233994
0.9512 High Similarity NPC211532
0.9506 High Similarity NPC44558
0.9506 High Similarity NPC34287
0.9506 High Similarity NPC235260
0.9506 High Similarity NPC20505
0.9506 High Similarity NPC471416
0.9506 High Similarity NPC116864
0.9506 High Similarity NPC474434
0.9506 High Similarity NPC206123
0.9506 High Similarity NPC155763
0.9506 High Similarity NPC231194
0.9506 High Similarity NPC183357
0.9506 High Similarity NPC21190
0.9506 High Similarity NPC244776
0.9506 High Similarity NPC105511
0.9506 High Similarity NPC51326
0.9506 High Similarity NPC224462
0.9506 High Similarity NPC72249
0.9506 High Similarity NPC22195
0.9503 High Similarity NPC58716
0.9503 High Similarity NPC146792
0.9503 High Similarity NPC45618
0.9497 High Similarity NPC77660
0.9497 High Similarity NPC189142
0.9497 High Similarity NPC473043
0.949 High Similarity NPC472860
0.949 High Similarity NPC1913
0.9455 High Similarity NPC139571
0.9455 High Similarity NPC217520
0.9455 High Similarity NPC476620
0.9455 High Similarity NPC472387
0.9455 High Similarity NPC476618
0.9455 High Similarity NPC476619
0.9455 High Similarity NPC35167
0.9455 High Similarity NPC476622
0.9455 High Similarity NPC476621
0.9455 High Similarity NPC476623
0.9451 High Similarity NPC264735
0.9451 High Similarity NPC135277
0.9451 High Similarity NPC49344
0.9451 High Similarity NPC101191
0.9451 High Similarity NPC210094
0.9451 High Similarity NPC237435
0.9451 High Similarity NPC43211
0.9451 High Similarity NPC115760
0.9448 High Similarity NPC47140
0.9448 High Similarity NPC476405
0.9448 High Similarity NPC117260
0.9448 High Similarity NPC67134
0.9448 High Similarity NPC235575
0.9444 High Similarity NPC472383
0.9444 High Similarity NPC112755
0.9444 High Similarity NPC203050
0.9444 High Similarity NPC219904
0.9444 High Similarity NPC138927
0.9444 High Similarity NPC471457
0.9444 High Similarity NPC223747
0.9444 High Similarity NPC472381
0.9444 High Similarity NPC183036
0.9444 High Similarity NPC210042
0.9444 High Similarity NPC195257
0.9444 High Similarity NPC95855
0.9444 High Similarity NPC170675
0.9444 High Similarity NPC120099
0.9444 High Similarity NPC225434
0.9444 High Similarity NPC209296
0.9441 High Similarity NPC210073
0.9441 High Similarity NPC21100
0.9441 High Similarity NPC197285
0.9441 High Similarity NPC115674
0.9437 High Similarity NPC29830
0.9437 High Similarity NPC94777
0.9434 High Similarity NPC311803
0.9434 High Similarity NPC472859
0.9434 High Similarity NPC25389
0.9434 High Similarity NPC217950
0.9434 High Similarity NPC182045
0.9427 High Similarity NPC471405
0.9401 High Similarity NPC36138
0.9398 High Similarity NPC471030
0.9394 High Similarity NPC472384
0.9394 High Similarity NPC472380
0.9394 High Similarity NPC61904
0.9394 High Similarity NPC472382
0.9394 High Similarity NPC144097
0.9394 High Similarity NPC268533
0.939 High Similarity NPC51774
0.939 High Similarity NPC169977
0.939 High Similarity NPC24043
0.939 High Similarity NPC236191
0.939 High Similarity NPC45522
0.939 High Similarity NPC21666
0.939 High Similarity NPC42773
0.939 High Similarity NPC101026
0.939 High Similarity NPC239549
0.939 High Similarity NPC204693
0.9387 High Similarity NPC79056
0.9387 High Similarity NPC245014
0.9387 High Similarity NPC84265
0.9387 High Similarity NPC282987
0.9387 High Similarity NPC44328
0.9387 High Similarity NPC105095
0.9387 High Similarity NPC177731
0.9383 High Similarity NPC84362
0.9383 High Similarity NPC226304
0.9383 High Similarity NPC149244
0.9383 High Similarity NPC325555
0.9383 High Similarity NPC223424
0.9383 High Similarity NPC173637
0.9383 High Similarity NPC127546
0.9383 High Similarity NPC93099
0.9383 High Similarity NPC265530
0.9383 High Similarity NPC52550
0.9383 High Similarity NPC317489
0.9383 High Similarity NPC135345
0.9383 High Similarity NPC48640
0.9383 High Similarity NPC477502
0.9379 High Similarity NPC277205
0.9375 High Similarity NPC33298
0.9375 High Similarity NPC285108
0.9371 High Similarity NPC119125
0.9371 High Similarity NPC166277
0.9371 High Similarity NPC110349
0.9367 High Similarity NPC43638
0.9363 High Similarity NPC10205
0.9345 High Similarity NPC470416
0.9337 High Similarity NPC253521
0.9337 High Similarity NPC173837
0.9337 High Similarity NPC120952
0.9337 High Similarity NPC258044
0.9337 High Similarity NPC477895
0.9337 High Similarity NPC267680
0.9337 High Similarity NPC293626
0.9337 High Similarity NPC113836
0.9337 High Similarity NPC37668
0.9337 High Similarity NPC217387
0.9337 High Similarity NPC196127
0.9333 High Similarity NPC214621
0.9333 High Similarity NPC34267
0.9333 High Similarity NPC253685
0.9333 High Similarity NPC223426
0.9333 High Similarity NPC81042
0.9329 High Similarity NPC267254

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC116745 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
0.9503 High Similarity NPD3818 Discontinued
0.9451 High Similarity NPD4338 Clinical (unspecified phase)
0.9444 High Similarity NPD7054 Approved
0.9387 High Similarity NPD7074 Phase 3
0.9387 High Similarity NPD7472 Approved
0.9212 High Similarity NPD6797 Phase 2
0.9157 High Similarity NPD7251 Discontinued
0.9125 High Similarity NPD4381 Clinical (unspecified phase)
0.9114 High Similarity NPD1934 Approved
0.9102 High Similarity NPD7808 Phase 3
0.8944 High Similarity NPD4868 Clinical (unspecified phase)
0.8938 High Similarity NPD2393 Clinical (unspecified phase)
0.8938 High Similarity NPD2801 Approved
0.8909 High Similarity NPD6168 Clinical (unspecified phase)
0.8909 High Similarity NPD6167 Clinical (unspecified phase)
0.8909 High Similarity NPD6166 Phase 2
0.8882 High Similarity NPD3817 Phase 2
0.8827 High Similarity NPD3882 Suspended
0.8706 High Similarity NPD6559 Discontinued
0.8659 High Similarity NPD7075 Discontinued
0.8639 High Similarity NPD7804 Clinical (unspecified phase)
0.8608 High Similarity NPD1511 Approved
0.8538 High Similarity NPD7993 Clinical (unspecified phase)
0.8519 High Similarity NPD4380 Phase 2
0.8509 High Similarity NPD1653 Approved
0.85 High Similarity NPD1512 Approved
0.8476 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD5402 Approved
0.8415 Intermediate Similarity NPD6801 Discontinued
0.8375 Intermediate Similarity NPD6799 Approved
0.8364 Intermediate Similarity NPD1465 Phase 2
0.8364 Intermediate Similarity NPD7819 Suspended
0.8343 Intermediate Similarity NPD6232 Discontinued
0.8333 Intermediate Similarity NPD5494 Approved
0.8333 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD5844 Phase 1
0.8304 Intermediate Similarity NPD7473 Discontinued
0.8291 Intermediate Similarity NPD1549 Phase 2
0.8276 Intermediate Similarity NPD7685 Pre-registration
0.8242 Intermediate Similarity NPD7411 Suspended
0.8228 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8228 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8221 Intermediate Similarity NPD5403 Approved
0.8176 Intermediate Similarity NPD7199 Phase 2
0.8167 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8166 Intermediate Similarity NPD6234 Discontinued
0.815 Intermediate Similarity NPD7228 Approved
0.8098 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD5401 Approved
0.8084 Intermediate Similarity NPD37 Approved
0.8079 Intermediate Similarity NPD8312 Approved
0.8079 Intermediate Similarity NPD8313 Approved
0.8075 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD6599 Discontinued
0.8056 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD2796 Approved
0.8047 Intermediate Similarity NPD4966 Approved
0.8047 Intermediate Similarity NPD4965 Approved
0.8047 Intermediate Similarity NPD4967 Phase 2
0.8025 Intermediate Similarity NPD230 Phase 1
0.8025 Intermediate Similarity NPD1933 Approved
0.8 Intermediate Similarity NPD7266 Discontinued
0.7989 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD1510 Phase 2
0.7977 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD3751 Discontinued
0.7931 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD6190 Approved
0.7911 Intermediate Similarity NPD447 Suspended
0.7879 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD6959 Discontinued
0.7853 Intermediate Similarity NPD4628 Phase 3
0.7849 Intermediate Similarity NPD919 Approved
0.7848 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD943 Approved
0.7848 Intermediate Similarity NPD1613 Approved
0.7848 Intermediate Similarity NPD1240 Approved
0.784 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD1551 Phase 2
0.7816 Intermediate Similarity NPD3787 Discontinued
0.7812 Intermediate Similarity NPD8151 Discontinued
0.7791 Intermediate Similarity NPD3749 Approved
0.7771 Intermediate Similarity NPD3926 Phase 2
0.775 Intermediate Similarity NPD1607 Approved
0.7744 Intermediate Similarity NPD3750 Approved
0.7737 Intermediate Similarity NPD7435 Discontinued
0.7733 Intermediate Similarity NPD7768 Phase 2
0.7722 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD2935 Discontinued
0.7683 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD6778 Approved
0.7672 Intermediate Similarity NPD6777 Approved
0.7672 Intermediate Similarity NPD6776 Approved
0.7672 Intermediate Similarity NPD6779 Approved
0.7672 Intermediate Similarity NPD6780 Approved
0.7672 Intermediate Similarity NPD6781 Approved
0.7672 Intermediate Similarity NPD6782 Approved
0.7667 Intermediate Similarity NPD7240 Approved
0.7665 Intermediate Similarity NPD2533 Approved
0.7665 Intermediate Similarity NPD2532 Approved
0.7665 Intermediate Similarity NPD2534 Approved
0.7658 Intermediate Similarity NPD3027 Phase 3
0.7657 Intermediate Similarity NPD1247 Approved
0.7617 Intermediate Similarity NPD7584 Approved
0.7616 Intermediate Similarity NPD8455 Phase 2
0.7611 Intermediate Similarity NPD5953 Discontinued
0.7595 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD3226 Approved
0.7574 Intermediate Similarity NPD920 Approved
0.7551 Intermediate Similarity NPD7783 Phase 2
0.7551 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7874 Approved
0.75 Intermediate Similarity NPD7286 Phase 2
0.7487 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6832 Phase 2
0.7471 Intermediate Similarity NPD5353 Approved
0.7461 Intermediate Similarity NPD7698 Approved
0.7461 Intermediate Similarity NPD7696 Phase 3
0.7461 Intermediate Similarity NPD7697 Approved
0.7459 Intermediate Similarity NPD8434 Phase 2
0.7456 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD2346 Discontinued
0.7439 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD2799 Discontinued
0.7439 Intermediate Similarity NPD3748 Approved
0.7423 Intermediate Similarity NPD7870 Phase 2
0.7423 Intermediate Similarity NPD7871 Phase 2
0.7421 Intermediate Similarity NPD9494 Approved
0.7421 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD6823 Phase 2
0.7407 Intermediate Similarity NPD6535 Approved
0.7407 Intermediate Similarity NPD6534 Approved
0.7405 Intermediate Similarity NPD1203 Approved
0.7398 Intermediate Similarity NPD7585 Approved
0.7398 Intermediate Similarity NPD7701 Phase 2
0.7391 Intermediate Similarity NPD2313 Discontinued
0.7384 Intermediate Similarity NPD7458 Discontinued
0.7374 Intermediate Similarity NPD5242 Approved
0.7366 Intermediate Similarity NPD8150 Discontinued
0.7365 Intermediate Similarity NPD2800 Approved
0.7365 Intermediate Similarity NPD1243 Approved
0.7362 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7583 Approved
0.7344 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7033 Discontinued
0.7333 Intermediate Similarity NPD8320 Phase 1
0.7333 Intermediate Similarity NPD8319 Approved
0.7325 Intermediate Similarity NPD9269 Phase 2
0.7321 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6385 Approved
0.7299 Intermediate Similarity NPD6386 Approved
0.7292 Intermediate Similarity NPD7700 Phase 2
0.7292 Intermediate Similarity NPD7699 Phase 2
0.7286 Intermediate Similarity NPD7801 Approved
0.7282 Intermediate Similarity NPD7680 Approved
0.7278 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD1652 Phase 2
0.7261 Intermediate Similarity NPD1091 Approved
0.7246 Intermediate Similarity NPD2344 Approved
0.7231 Intermediate Similarity NPD5005 Approved
0.7231 Intermediate Similarity NPD5006 Approved
0.7222 Intermediate Similarity NPD5710 Approved
0.7222 Intermediate Similarity NPD5711 Approved
0.7215 Intermediate Similarity NPD9717 Approved
0.72 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD7038 Approved
0.7189 Intermediate Similarity NPD7039 Approved
0.7186 Intermediate Similarity NPD6099 Approved
0.7186 Intermediate Similarity NPD6100 Approved
0.7184 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD6798 Discontinued
0.7173 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD6213 Phase 3
0.7173 Intermediate Similarity NPD6212 Phase 3
0.7167 Intermediate Similarity NPD8127 Discontinued
0.7166 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6674 Discontinued
0.7159 Intermediate Similarity NPD6844 Discontinued
0.7152 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD6233 Phase 2
0.7126 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD4420 Approved
0.7108 Intermediate Similarity NPD6651 Approved
0.7094 Intermediate Similarity NPD7930 Approved
0.7076 Intermediate Similarity NPD2309 Approved
0.7073 Intermediate Similarity NPD411 Approved
0.7073 Intermediate Similarity NPD3268 Approved
0.707 Intermediate Similarity NPD9268 Approved
0.7055 Intermediate Similarity NPD4908 Phase 1

Structure

External Identifiers

PubChem CID   14861259
ChEMBL   CHEMBL463895
ZINC  

Physicochemical Properties

Molecular Weight:  576.15
ALogP:  -2.8138
MLogP:  2.89
XLogP:  1.31
# Rotatable Bonds:  20
Polar Surface Area:  215.58
# H-Bond Aceptor:  9
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  41

Download Data

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