Natural Product: NPC172419

Natural Product ID:  NPC172419
Common Name:   1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
IUPAC Name:   [(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Synonyms:  
Molecular Formula:   C34H28O22
Standard InCHIKey:  RATQVALKDAUZBW-XPMKZLBQSA-N
Standard InCHI:  InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
Canonical SMILES:  O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(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
NPO9973 Euphorbia turczaninowii Species Euphorbiaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO5541 Crotalaria aegyptiaca Species Fabaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO2174 Polysiphonia elongata Species Rhodomelaceae Eukaryota UNPD*
NPO550 Callicarpa maingayi Species Lamiaceae Eukaryota UNPD*
NPO7381 Ircinia spinosula Species Irciniidae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO2723 Artemisia carvifolia Species Asteraceae Eukaryota UNPD*
NPO7013 Dicoma capensis Species Asteraceae Eukaryota UNPD*
NPO8773 Sonchus ortunoi Species Asteraceae Eukaryota UNPD*
NPO3119 Cephalaria uralensis Species Caprifoliaceae Eukaryota UNPD*
NPO8437 Encyothalia cliftonii Species Sporochnaceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO9734 Vincetoxicum hirundinaria Species Apocynaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO29612 Juglandis semen NA NA NA TCMSP*
NPO19259 Agrostis epigeios Species Poaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO18674 Juglans regia Species Juglandaceae Eukaryota TCMID*
NPO5065 Cladonia fallax Species Cladoniaceae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO23759 Litsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO6039 Aglaia laxiflora Species Meliaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO5842 Annulohypoxylon truncatum Species Xylariaceae Eukaryota UNPD*
NPO22624 Clematis tangutica Species Ranunculaceae Eukaryota UNPD*
NPO5301 Haplophyllum ferganicum Species Rutaceae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO15448 Chrysothamnus parryi Species Asteraceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO9207 Styrax ferrugineus Species Styracaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO26170 Haliclona mucosa Species Chalinidae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO4073 Geranium sylvaticum Species Geraniaceae Eukaryota UNPD*
NPO8909 Pteris radiata Species Pteridaceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO7625 Scopolia hladnikiana Species Solanaceae Eukaryota UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO8621 Cylindrospermopsis raciborskii Species Aphanizomenonaceae Bacteria UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO762 Digitalis isabelliana Species Plantaginaceae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 > 10 ug/ml 1431932
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2.3 mmHg 10.1021/np50094a030

  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 NPC172419 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 NPC238419
0.9933 High Similarity NPC247629
0.9933 High Similarity NPC239019
0.9801 High Similarity NPC114791
0.9801 High Similarity NPC318826
0.9801 High Similarity NPC210501
0.9801 High Similarity NPC104222
0.9801 High Similarity NPC141331
0.9732 High Similarity NPC205037
0.9732 High Similarity NPC61152
0.9732 High Similarity NPC3746
0.9732 High Similarity NPC16024
0.9732 High Similarity NPC44260
0.949 High Similarity NPC470271
0.949 High Similarity NPC311389
0.9463 High Similarity NPC92117
0.943 High Similarity NPC95421
0.943 High Similarity NPC198125
0.9427 High Similarity NPC175793
0.9396 High Similarity NPC120621
0.9396 High Similarity NPC142528
0.9396 High Similarity NPC248257
0.9371 High Similarity NPC470272
0.9367 High Similarity NPC261411
0.9367 High Similarity NPC190204
0.9367 High Similarity NPC43918
0.9338 High Similarity NPC140151
0.9308 High Similarity NPC149300
0.925 High Similarity NPC47521
0.9245 High Similarity NPC31034
0.9236 High Similarity NPC14030
0.9236 High Similarity NPC291957
0.9231 High Similarity NPC289346
0.9195 High Similarity NPC108455
0.9187 High Similarity NPC658
0.9187 High Similarity NPC197708
0.9177 High Similarity NPC470898
0.9161 High Similarity NPC134925
0.9141 High Similarity NPC472723
0.9128 High Similarity NPC226738
0.9128 High Similarity NPC190587
0.9128 High Similarity NPC229036
0.9128 High Similarity NPC22176
0.9128 High Similarity NPC121573
0.9114 High Similarity NPC33298
0.9114 High Similarity NPC90905
0.9114 High Similarity NPC4013
0.9114 High Similarity NPC285108
0.9085 High Similarity NPC252979
0.9079 High Similarity NPC75945
0.9074 High Similarity NPC5786
0.9074 High Similarity NPC102851
0.903 High Similarity NPC80956
0.8981 High Similarity NPC472860
0.8981 High Similarity NPC1913
0.8924 High Similarity NPC74319
0.8924 High Similarity NPC289811
0.8924 High Similarity NPC160780
0.8924 High Similarity NPC287872
0.8922 High Similarity NPC135831
0.8922 High Similarity NPC297503
0.8922 High Similarity NPC97119
0.8889 High Similarity NPC217781
0.8889 High Similarity NPC43123
0.8889 High Similarity NPC473818
0.8882 High Similarity NPC166851
0.8882 High Similarity NPC162169
0.8869 High Similarity NPC231254
0.8868 High Similarity NPC203020
0.8868 High Similarity NPC166277
0.8868 High Similarity NPC119125
0.8868 High Similarity NPC239966
0.8862 High Similarity NPC8940
0.8861 High Similarity NPC133984
0.8859 High Similarity NPC225036
0.8859 High Similarity NPC12218
0.8859 High Similarity NPC75763
0.8859 High Similarity NPC105525
0.8854 High Similarity NPC203757
0.8854 High Similarity NPC156624
0.8854 High Similarity NPC172920
0.8831 High Similarity NPC42464
0.8827 High Similarity NPC49983
0.8827 High Similarity NPC142707
0.8827 High Similarity NPC26536
0.8827 High Similarity NPC317671
0.882 High Similarity NPC121290
0.8817 High Similarity NPC261623
0.8817 High Similarity NPC111490
0.8812 High Similarity NPC472859
0.8812 High Similarity NPC25389
0.8812 High Similarity NPC311803
0.8802 High Similarity NPC198902
0.8802 High Similarity NPC471030
0.8795 High Similarity NPC297574
0.8788 High Similarity NPC172033
0.8788 High Similarity NPC175230
0.8788 High Similarity NPC88560
0.878 High Similarity NPC204937
0.878 High Similarity NPC149011
0.8774 High Similarity NPC306343
0.8765 High Similarity NPC65489
0.8758 High Similarity NPC473867
0.875 High Similarity NPC476373
0.8743 High Similarity NPC196127
0.8743 High Similarity NPC258044
0.8743 High Similarity NPC267680
0.8743 High Similarity NPC293626
0.8743 High Similarity NPC113836
0.8743 High Similarity NPC37668
0.8743 High Similarity NPC217387
0.8743 High Similarity NPC253521
0.8742 High Similarity NPC4747
0.8742 High Similarity NPC474010
0.8742 High Similarity NPC135222
0.8742 High Similarity NPC104275
0.8727 High Similarity NPC67134
0.8727 High Similarity NPC47140
0.8727 High Similarity NPC65333
0.8726 High Similarity NPC105827
0.8726 High Similarity NPC310661
0.8713 High Similarity NPC7839
0.8713 High Similarity NPC173872
0.8713 High Similarity NPC119094
0.8713 High Similarity NPC142291
0.8706 High Similarity NPC104910
0.8706 High Similarity NPC474093
0.8706 High Similarity NPC469650
0.8704 High Similarity NPC227297
0.8698 High Similarity NPC129533
0.8698 High Similarity NPC123259
0.8683 High Similarity NPC79736
0.8683 High Similarity NPC472992
0.8683 High Similarity NPC61904
0.8683 High Similarity NPC472991
0.8683 High Similarity NPC144097
0.8683 High Similarity NPC67629
0.8679 High Similarity NPC104983
0.8679 High Similarity NPC300845
0.8679 High Similarity NPC250436
0.8679 High Similarity NPC291948
0.8679 High Similarity NPC88803
0.8675 High Similarity NPC472993
0.8675 High Similarity NPC163165
0.8671 High Similarity NPC327032
0.8671 High Similarity NPC191046
0.8671 High Similarity NPC194095
0.8667 High Similarity NPC239943
0.8663 High Similarity NPC469652
0.8663 High Similarity NPC472724
0.8663 High Similarity NPC31208
0.8663 High Similarity NPC472721
0.8663 High Similarity NPC472720
0.8663 High Similarity NPC160543
0.8663 High Similarity NPC93065
0.8655 High Similarity NPC469649
0.8655 High Similarity NPC72554
0.8655 High Similarity NPC260521
0.8655 High Similarity NPC475179
0.8655 High Similarity NPC30011
0.8655 High Similarity NPC97817
0.8642 High Similarity NPC476371
0.8642 High Similarity NPC246024
0.8642 High Similarity NPC476372
0.8639 High Similarity NPC469371
0.8636 High Similarity NPC474465
0.8634 High Similarity NPC24164
0.8631 High Similarity NPC35167
0.8631 High Similarity NPC476620
0.8631 High Similarity NPC476622
0.8631 High Similarity NPC476621
0.8631 High Similarity NPC476623
0.8631 High Similarity NPC267549
0.8631 High Similarity NPC476619
0.8631 High Similarity NPC476618
0.8627 High Similarity NPC114242
0.8627 High Similarity NPC50221
0.8625 High Similarity NPC49173
0.8625 High Similarity NPC114179
0.8625 High Similarity NPC187205
0.8625 High Similarity NPC68324
0.8625 High Similarity NPC289322
0.8625 High Similarity NPC160512
0.8625 High Similarity NPC156818
0.8625 High Similarity NPC38779
0.8623 High Similarity NPC81042
0.8623 High Similarity NPC223426
0.8623 High Similarity NPC214621
0.8623 High Similarity NPC34267
0.8614 High Similarity NPC100251
0.8613 High Similarity NPC264302
0.8608 High Similarity NPC87403
0.8605 High Similarity NPC477081
0.8605 High Similarity NPC269046
0.8605 High Similarity NPC158214
0.8605 High Similarity NPC477083
0.8605 High Similarity NPC240200
0.8605 High Similarity NPC290289
0.8605 High Similarity NPC223534
0.8599 High Similarity NPC477334

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC172419 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
0.8727 High Similarity NPD7993 Clinical (unspecified phase)
0.8679 High Similarity NPD4868 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD7472 Approved
0.8333 Intermediate Similarity NPD230 Phase 1
0.8323 Intermediate Similarity NPD6190 Approved
0.8294 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD6797 Phase 2
0.8274 Intermediate Similarity NPD7054 Approved
0.8235 Intermediate Similarity NPD7251 Discontinued
0.8225 Intermediate Similarity NPD7074 Phase 3
0.8214 Intermediate Similarity NPD3818 Discontinued
0.8187 Intermediate Similarity NPD7808 Phase 3
0.8182 Intermediate Similarity NPD7266 Discontinued
0.8129 Intermediate Similarity NPD7685 Pre-registration
0.8061 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7228 Approved
0.7988 Intermediate Similarity NPD6166 Phase 2
0.7988 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD8312 Approved
0.7829 Intermediate Similarity NPD8313 Approved
0.7798 Intermediate Similarity NPD6234 Discontinued
0.7791 Intermediate Similarity NPD1653 Approved
0.7771 Intermediate Similarity NPD8455 Phase 2
0.7771 Intermediate Similarity NPD1465 Phase 2
0.7746 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD5844 Phase 1
0.7722 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD9269 Phase 2
0.7711 Intermediate Similarity NPD1934 Approved
0.7711 Intermediate Similarity NPD37 Approved
0.7709 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD4380 Phase 2
0.7679 Intermediate Similarity NPD4967 Phase 2
0.7679 Intermediate Similarity NPD4966 Approved
0.7679 Intermediate Similarity NPD4965 Approved
0.7672 Intermediate Similarity NPD8151 Discontinued
0.7665 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD7240 Approved
0.7614 Intermediate Similarity NPD6559 Discontinued
0.756 Intermediate Similarity NPD2801 Approved
0.7558 Intermediate Similarity NPD6232 Discontinued
0.7515 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD7199 Phase 2
0.7471 Intermediate Similarity NPD3882 Suspended
0.7471 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD9268 Approved
0.7439 Intermediate Similarity NPD1511 Approved
0.7429 Intermediate Similarity NPD7473 Discontinued
0.7427 Intermediate Similarity NPD7075 Discontinued
0.7412 Intermediate Similarity NPD5402 Approved
0.7399 Intermediate Similarity NPD6959 Discontinued
0.7349 Intermediate Similarity NPD1512 Approved
0.7342 Intermediate Similarity NPD943 Approved
0.7337 Intermediate Similarity NPD7411 Suspended
0.7314 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD3751 Discontinued
0.7277 Intermediate Similarity NPD8320 Phase 1
0.7277 Intermediate Similarity NPD8319 Approved
0.7267 Intermediate Similarity NPD7768 Phase 2
0.7258 Intermediate Similarity NPD6535 Approved
0.7258 Intermediate Similarity NPD6534 Approved
0.7257 Intermediate Similarity NPD3787 Discontinued
0.7256 Intermediate Similarity NPD8166 Discontinued
0.7256 Intermediate Similarity NPD4628 Phase 3
0.7251 Intermediate Similarity NPD7819 Suspended
0.7251 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7700 Phase 2
0.7234 Intermediate Similarity NPD7699 Phase 2
0.7225 Intermediate Similarity NPD7680 Approved
0.7225 Intermediate Similarity NPD7435 Discontinued
0.7215 Intermediate Similarity NPD3764 Approved
0.7213 Intermediate Similarity NPD8150 Discontinued
0.7209 Intermediate Similarity NPD5353 Approved
0.7209 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD5403 Approved
0.7196 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6801 Discontinued
0.7158 Intermediate Similarity NPD6779 Approved
0.7158 Intermediate Similarity NPD6778 Approved
0.7158 Intermediate Similarity NPD6781 Approved
0.7158 Intermediate Similarity NPD6782 Approved
0.7158 Intermediate Similarity NPD6780 Approved
0.7158 Intermediate Similarity NPD6777 Approved
0.7158 Intermediate Similarity NPD6776 Approved
0.7152 Intermediate Similarity NPD9545 Approved
0.7152 Intermediate Similarity NPD3027 Phase 3
0.7143 Intermediate Similarity NPD5494 Approved
0.7134 Intermediate Similarity NPD1549 Phase 2
0.7126 Intermediate Similarity NPD3749 Approved
0.7126 Intermediate Similarity NPD6799 Approved
0.7126 Intermediate Similarity NPD7390 Discontinued
0.7125 Intermediate Similarity NPD1613 Approved
0.7125 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7458 Discontinued
0.7098 Intermediate Similarity NPD7870 Phase 2
0.7098 Intermediate Similarity NPD7871 Phase 2
0.7092 Intermediate Similarity NPD7874 Approved
0.7092 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5401 Approved
0.7083 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7783 Phase 2
0.7055 Intermediate Similarity NPD1510 Phase 2
0.7048 Intermediate Similarity NPD3750 Approved
0.7048 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD7696 Phase 3
0.7047 Intermediate Similarity NPD7698 Approved
0.7047 Intermediate Similarity NPD7697 Approved
0.703 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD9494 Approved
0.7021 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6212 Phase 3
0.7021 Intermediate Similarity NPD6213 Phase 3
0.7018 Intermediate Similarity NPD3455 Phase 2
0.699 Remote Similarity NPD7701 Phase 2
0.6988 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6951 Remote Similarity NPD651 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5242 Approved
0.6919 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5404 Approved
0.6909 Remote Similarity NPD5405 Approved
0.6909 Remote Similarity NPD5406 Approved
0.6909 Remote Similarity NPD5408 Approved
0.6909 Remote Similarity NPD1551 Phase 2
0.6907 Remote Similarity NPD6823 Phase 2
0.6894 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6884 Remote Similarity NPD7801 Approved
0.6882 Remote Similarity NPD2532 Approved
0.6882 Remote Similarity NPD2534 Approved
0.6882 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6882 Remote Similarity NPD2533 Approved
0.6879 Remote Similarity NPD6599 Discontinued
0.6875 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6871 Remote Similarity NPD1933 Approved
0.6839 Remote Similarity NPD6385 Approved
0.6839 Remote Similarity NPD6386 Approved
0.6829 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7585 Approved
0.6816 Remote Similarity NPD8127 Discontinued
0.681 Remote Similarity NPD1240 Approved
0.6807 Remote Similarity NPD2796 Approved
0.6807 Remote Similarity NPD2935 Discontinued
0.6772 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6768 Remote Similarity NPD447 Suspended
0.6768 Remote Similarity NPD7583 Approved
0.6757 Remote Similarity NPD7038 Approved
0.6757 Remote Similarity NPD7039 Approved
0.6755 Remote Similarity NPD8434 Phase 2
0.6748 Remote Similarity NPD6233 Phase 2
0.6747 Remote Similarity NPD3748 Approved
0.6747 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6736 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6727 Remote Similarity NPD1607 Approved
0.6717 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7097 Phase 1
0.6683 Remote Similarity NPD7584 Approved
0.6648 Remote Similarity NPD3926 Phase 2
0.6647 Remote Similarity NPD6273 Approved
0.6647 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1091 Approved
0.6611 Remote Similarity NPD919 Approved
0.6595 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6674 Discontinued
0.6585 Remote Similarity NPD6798 Discontinued
0.6564 Remote Similarity NPD4908 Phase 1
0.6556 Remote Similarity NPD6971 Discontinued
0.655 Remote Similarity NPD7003 Approved
0.6543 Remote Similarity NPD7549 Discontinued
0.6541 Remote Similarity NPD7799 Discontinued
0.6534 Remote Similarity NPD3226 Approved
0.6533 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6532 Remote Similarity NPD4357 Discontinued
0.6524 Remote Similarity NPD5953 Discontinued
0.6524 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6506 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6503 Remote Similarity NPD7229 Phase 3
0.6503 Remote Similarity NPD5711 Approved
0.6503 Remote Similarity NPD5710 Approved
0.6491 Remote Similarity NPD1652 Phase 2
0.6489 Remote Similarity NPD8368 Discontinued
0.6485 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6481 Remote Similarity NPD1203 Approved
0.6474 Remote Similarity NPD7440 Discontinued
0.6474 Remote Similarity NPD9493 Approved
0.6468 Remote Similarity NPD7999 Approved
0.6465 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6461 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6456 Remote Similarity NPD7930 Approved
0.6452 Remote Similarity NPD7177 Discontinued

Structure

External Identifiers

PubChem CID   73178
ChEMBL   CHEMBL449947
ZINC  

Physicochemical Properties

Molecular Weight:  788.11
ALogP:  -6.5602
MLogP:  2.78
XLogP:  -0.125
# Rotatable Bonds:  26
Polar Surface Area:  377.42
# H-Bond Aceptor:  10
# H-Bond Donor:  13
# Rings:  5
# Heavy Atoms:  56

Download Data

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