Natural Product: NPC47521

Natural Product ID:  NPC47521
Common Name:   n.a.
IUPAC Name:  
Synonyms:   1(Beta)-O-Galloylpedunculagin
Molecular Formula:   C41H28O26
Standard InCHIKey:  SWRFKGRMQVLMKA-JIZJWZDPSA-N
Standard InCHI:  InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1
Canonical SMILES:  O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)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
NPO9718 Cyphelium chrysocephalum Species Caliciaceae Eukaryota UNPD*
NPO577 Lactifluus subvellereus Species Russulaceae Eukaryota UNPD*
NPO4855 Colchicum speciosum Species Colchicaceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO9388 Heliomeris multiflora Species Asteraceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO8622 Stauntonia hexaphylla Species Lardizabalaceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO9456 Rubus sanctus Species Rosaceae Eukaryota UNPD*
NPO29709 Rosae laevigatae fructus NA NA NA TCMSP*
NPO6783 Avrainvillea rawsonii Species Udoteaceae Eukaryota UNPD*
NPO18564 Ligularia dentata Species Asteraceae Eukaryota UNPD*
NPO29612 Juglandis semen NA NA NA TCMSP*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota TM-MC*
NPO6756 Davallia orientalis Species Davalliaceae Eukaryota UNPD*
NPO18178 Chelonaplysilla erecta Species Darwinellidae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO15735 Galeocerdo arcticus Species Carcharhinidae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO173 Aconitum sajanense Species Ranunculaceae Eukaryota UNPD*
NPO11165 Spirographis spallanzani NA NA NA UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO25538 Senegalia pennata Species Fabaceae Eukaryota UNPD*
NPO8829 Baccharis obtusifolia Species Asteraceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO1590 Sinningia aggregata Species Gesneriaceae Eukaryota UNPD*
NPO15132 Cypholophus friesianus Species Urticaceae Eukaryota UNPD*
NPO6072 Andinobates bombetes Species Dendrobatidae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO7626 Damnacanthus major Species Rubiaceae Eukaryota UNPD*
NPO6041 Lithocolletis coryli NA NA NA UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO16244 Clusia multiflora Species Clusiaceae Eukaryota UNPD*
NPO12409 Artemisia jacutica Species Asteraceae Eukaryota UNPD*
NPO2395 Siphonaria australis Species Siphonariidae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TCM_Taiwan*
NPO3868 Senecio sinuatus Species Asteraceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO19574 Potentilla kleiniana Species Rosaceae Eukaryota TCM_Taiwan*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO2346 Agrimonia japonica Species Rosaceae Eukaryota TCM_Taiwan*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota TCM_Taiwan*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO1934 Strychnos triplinervia Species Loganiaceae Eukaryota UNPD*
NPO26919 Sanguisorba officinalis Species Rosaceae Eukaryota PMID[11520216]
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO7383 Puccinia lagenophorae Species Pucciniaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO14669 Sclerotinia fructigena Species Sclerotiniaceae Eukaryota UNPD*
NPO1032 Piper attenuatum Species Piperaceae Eukaryota UNPD*
NPO1456 Bersama abyssinica Species Melianthaceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO7084 Montezuma speciosissima NA NA NA UNPD*
NPO2663 Casimiroa tetrameria Species Rutaceae Eukaryota UNPD*
NPO1507 Cissus quinquefolia Species Vitaceae Eukaryota UNPD*
NPO19172 Vandopsis gigantea Species Orchidaceae Eukaryota UNPD*
NPO4504 Cassia jahnii Species Fabaceae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO5834 Pellicularia sasakii NA NA NA UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 7000 nM 11520216
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 = 0.21 ug/ml 1431932

  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 NPC47521 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
0.9874 High Similarity NPC190204
0.9874 High Similarity NPC261411
0.9874 High Similarity NPC43918
0.975 High Similarity NPC311389
0.975 High Similarity NPC470271
0.975 High Similarity NPC31034
0.9688 High Similarity NPC175793
0.963 High Similarity NPC470272
0.9506 High Similarity NPC217781
0.95 High Similarity NPC291957
0.95 High Similarity NPC14030
0.9444 High Similarity NPC26536
0.9444 High Similarity NPC142707
0.9444 High Similarity NPC49983
0.9444 High Similarity NPC317671
0.9441 High Similarity NPC470898
0.9398 High Similarity NPC472723
0.9383 High Similarity NPC162169
0.9383 High Similarity NPC166851
0.9345 High Similarity NPC8940
0.9313 High Similarity NPC114791
0.9313 High Similarity NPC141331
0.9313 High Similarity NPC210501
0.9313 High Similarity NPC104222
0.9313 High Similarity NPC318826
0.9286 High Similarity NPC80956
0.925 High Similarity NPC238419
0.925 High Similarity NPC172419
0.925 High Similarity NPC474010
0.925 High Similarity NPC135222
0.9191 High Similarity NPC40078
0.9191 High Similarity NPC471091
0.9191 High Similarity NPC97924
0.9187 High Similarity NPC239019
0.9187 High Similarity NPC247629
0.9186 High Similarity NPC269046
0.9128 High Similarity NPC237202
0.9128 High Similarity NPC469649
0.9128 High Similarity NPC260521
0.9128 High Similarity NPC65489
0.9123 High Similarity NPC231254
0.9075 High Similarity NPC223534
0.9075 High Similarity NPC290289
0.9075 High Similarity NPC240200
0.9075 High Similarity NPC158214
0.907 High Similarity NPC261623
0.907 High Similarity NPC469650
0.907 High Similarity NPC111490
0.9053 High Similarity NPC297574
0.9023 High Similarity NPC93065
0.9023 High Similarity NPC472721
0.9023 High Similarity NPC31208
0.9023 High Similarity NPC187632
0.9023 High Similarity NPC469652
0.9023 High Similarity NPC160543
0.9023 High Similarity NPC472724
0.9023 High Similarity NPC472720
0.9 High Similarity NPC205037
0.9 High Similarity NPC16024
0.9 High Similarity NPC44260
0.9 High Similarity NPC3746
0.9 High Similarity NPC61152
0.8983 High Similarity NPC189312
0.8966 High Similarity NPC173872
0.8966 High Similarity NPC119094
0.8953 High Similarity NPC129533
0.8953 High Similarity NPC123259
0.8947 High Similarity NPC198902
0.8914 High Similarity NPC201814
0.8895 High Similarity NPC125352
0.8883 High Similarity NPC174140
0.887 High Similarity NPC476358
0.8869 High Similarity NPC149300
0.8864 High Similarity NPC264302
0.8857 High Similarity NPC142291
0.8857 High Similarity NPC477081
0.8857 High Similarity NPC7839
0.8857 High Similarity NPC477083
0.8855 High Similarity NPC469651
0.8824 High Similarity NPC473550
0.881 High Similarity NPC473818
0.8786 High Similarity NPC53680
0.8786 High Similarity NPC208797
0.8771 High Similarity NPC3474
0.8765 High Similarity NPC100251
0.8765 High Similarity NPC65333
0.8764 High Similarity NPC477082
0.8758 High Similarity NPC140151
0.8757 High Similarity NPC95421
0.8757 High Similarity NPC198125
0.875 High Similarity NPC92117
0.8721 High Similarity NPC79736
0.8721 High Similarity NPC67629
0.872 High Similarity NPC134925
0.8713 High Similarity NPC263119
0.8713 High Similarity NPC46640
0.8713 High Similarity NPC34436
0.8713 High Similarity NPC98583
0.8713 High Similarity NPC219600
0.8713 High Similarity NPC166674
0.8706 High Similarity NPC181778
0.8688 High Similarity NPC142528
0.8688 High Similarity NPC120621
0.8688 High Similarity NPC248257
0.8671 High Similarity NPC267549
0.8663 High Similarity NPC171706
0.8631 High Similarity NPC121290
0.8629 High Similarity NPC297503
0.8629 High Similarity NPC97119
0.8629 High Similarity NPC135831
0.8621 High Similarity NPC472726
0.8621 High Similarity NPC472725
0.8606 High Similarity NPC104983
0.8606 High Similarity NPC291948
0.8606 High Similarity NPC88803
0.8606 High Similarity NPC250436
0.8606 High Similarity NPC300845
0.8588 High Similarity NPC105591
0.8563 High Similarity NPC289346
0.8563 High Similarity NPC24627
0.8554 High Similarity NPC289322
0.8554 High Similarity NPC38779
0.8554 High Similarity NPC68324
0.8554 High Similarity NPC114179
0.8554 High Similarity NPC156818
0.8554 High Similarity NPC257309
0.8554 High Similarity NPC160512
0.8547 High Similarity NPC47140
0.8547 High Similarity NPC67134
0.8545 High Similarity NPC472835
0.8545 High Similarity NPC203757
0.8538 High Similarity NPC197708
0.8538 High Similarity NPC658
0.8531 High Similarity NPC112380
0.8528 High Similarity NPC252979
0.8523 High Similarity NPC132111
0.8514 High Similarity NPC471030
0.8512 High Similarity NPC266365
0.8509 High Similarity NPC268366
0.8506 High Similarity NPC473713
0.8503 High Similarity NPC87317
0.85 High Similarity NPC108455
0.8497 Intermediate Similarity NPC172033
0.8497 Intermediate Similarity NPC88560
0.8497 Intermediate Similarity NPC175230
0.8494 Intermediate Similarity NPC318432
0.8488 Intermediate Similarity NPC204937
0.8488 Intermediate Similarity NPC149011
0.8483 Intermediate Similarity NPC269625
0.8483 Intermediate Similarity NPC179947
0.8483 Intermediate Similarity NPC475179
0.848 Intermediate Similarity NPC311912
0.8466 Intermediate Similarity NPC170203
0.8466 Intermediate Similarity NPC469371
0.8462 Intermediate Similarity NPC33298
0.8462 Intermediate Similarity NPC90905
0.8462 Intermediate Similarity NPC285108
0.8462 Intermediate Similarity NPC4013
0.8457 Intermediate Similarity NPC113836
0.8457 Intermediate Similarity NPC476618
0.8457 Intermediate Similarity NPC476619
0.8457 Intermediate Similarity NPC37668
0.8457 Intermediate Similarity NPC253521
0.8457 Intermediate Similarity NPC293626
0.8457 Intermediate Similarity NPC217387
0.8457 Intermediate Similarity NPC476623
0.8457 Intermediate Similarity NPC196127
0.8457 Intermediate Similarity NPC476620
0.8457 Intermediate Similarity NPC476621
0.8457 Intermediate Similarity NPC476622
0.8457 Intermediate Similarity NPC258044
0.8457 Intermediate Similarity NPC267680
0.8452 Intermediate Similarity NPC24164
0.8452 Intermediate Similarity NPC53889
0.8443 Intermediate Similarity NPC472860
0.8439 Intermediate Similarity NPC38438
0.8439 Intermediate Similarity NPC102851
0.8439 Intermediate Similarity NPC5786
0.8438 Intermediate Similarity NPC121573
0.8438 Intermediate Similarity NPC190587
0.8438 Intermediate Similarity NPC229036
0.8438 Intermediate Similarity NPC22176
0.8438 Intermediate Similarity NPC226738
0.8436 Intermediate Similarity NPC473618
0.8434 Intermediate Similarity NPC156624
0.8434 Intermediate Similarity NPC172920
0.843 Intermediate Similarity NPC88557
0.8427 Intermediate Similarity NPC104910
0.8427 Intermediate Similarity NPC475352
0.8427 Intermediate Similarity NPC229817
0.8427 Intermediate Similarity NPC474093
0.8427 Intermediate Similarity NPC221140
0.8427 Intermediate Similarity NPC473686
0.8427 Intermediate Similarity NPC475220
0.8418 Intermediate Similarity NPC293227
0.8418 Intermediate Similarity NPC473717
0.8418 Intermediate Similarity NPC475662
0.8418 Intermediate Similarity NPC473631
0.8405 Intermediate Similarity NPC75945
0.84 Intermediate Similarity NPC144097

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC47521 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
0.8606 High Similarity NPD4868 Clinical (unspecified phase)
0.8547 High Similarity NPD7993 Clinical (unspecified phase)
0.8167 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD1465 Phase 2
0.809 Intermediate Similarity NPD8313 Approved
0.809 Intermediate Similarity NPD8312 Approved
0.8068 Intermediate Similarity NPD7074 Phase 3
0.8068 Intermediate Similarity NPD7472 Approved
0.8057 Intermediate Similarity NPD3818 Discontinued
0.8057 Intermediate Similarity NPD7228 Approved
0.8034 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD6797 Phase 2
0.8011 Intermediate Similarity NPD5844 Phase 1
0.8011 Intermediate Similarity NPD7054 Approved
0.801 Intermediate Similarity NPD8151 Discontinued
0.7978 Intermediate Similarity NPD7251 Discontinued
0.7965 Intermediate Similarity NPD6234 Discontinued
0.7933 Intermediate Similarity NPD7808 Phase 3
0.7931 Intermediate Similarity NPD6232 Discontinued
0.7907 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.788 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6166 Phase 2
0.7841 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD8455 Phase 2
0.7812 Intermediate Similarity NPD230 Phase 1
0.7797 Intermediate Similarity NPD7473 Discontinued
0.7778 Intermediate Similarity NPD37 Approved
0.7771 Intermediate Similarity NPD6959 Discontinued
0.7746 Intermediate Similarity NPD4966 Approved
0.7746 Intermediate Similarity NPD4967 Phase 2
0.7746 Intermediate Similarity NPD4965 Approved
0.7711 Intermediate Similarity NPD6190 Approved
0.7705 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD7266 Discontinued
0.768 Intermediate Similarity NPD7685 Pre-registration
0.768 Intermediate Similarity NPD7240 Approved
0.7674 Intermediate Similarity NPD1934 Approved
0.767 Intermediate Similarity NPD7199 Phase 2
0.764 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7390 Discontinued
0.7611 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD6559 Discontinued
0.7558 Intermediate Similarity NPD4380 Phase 2
0.7529 Intermediate Similarity NPD7819 Suspended
0.75 Intermediate Similarity NPD3749 Approved
0.7471 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD3751 Discontinued
0.7443 Intermediate Similarity NPD7768 Phase 2
0.7442 Intermediate Similarity NPD1653 Approved
0.7436 Intermediate Similarity NPD8319 Approved
0.7436 Intermediate Similarity NPD8320 Phase 1
0.743 Intermediate Similarity NPD3787 Discontinued
0.7429 Intermediate Similarity NPD2801 Approved
0.7421 Intermediate Similarity NPD6535 Approved
0.7421 Intermediate Similarity NPD6534 Approved
0.7412 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD7075 Discontinued
0.7396 Intermediate Similarity NPD7700 Phase 2
0.7396 Intermediate Similarity NPD7699 Phase 2
0.7386 Intermediate Similarity NPD3817 Phase 2
0.7385 Intermediate Similarity NPD7435 Discontinued
0.738 Intermediate Similarity NPD8150 Discontinued
0.7347 Intermediate Similarity NPD7871 Phase 2
0.7347 Intermediate Similarity NPD7870 Phase 2
0.7345 Intermediate Similarity NPD3882 Suspended
0.7337 Intermediate Similarity NPD3750 Approved
0.7337 Intermediate Similarity NPD8166 Discontinued
0.732 Intermediate Similarity NPD6776 Approved
0.732 Intermediate Similarity NPD6779 Approved
0.732 Intermediate Similarity NPD6780 Approved
0.732 Intermediate Similarity NPD6781 Approved
0.732 Intermediate Similarity NPD6777 Approved
0.732 Intermediate Similarity NPD6778 Approved
0.732 Intermediate Similarity NPD6782 Approved
0.7317 Intermediate Similarity NPD943 Approved
0.7314 Intermediate Similarity NPD7411 Suspended
0.731 Intermediate Similarity NPD1511 Approved
0.7305 Intermediate Similarity NPD5405 Approved
0.7305 Intermediate Similarity NPD5404 Approved
0.7305 Intermediate Similarity NPD5406 Approved
0.7305 Intermediate Similarity NPD5408 Approved
0.7301 Intermediate Similarity NPD3764 Approved
0.73 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7783 Phase 2
0.7299 Intermediate Similarity NPD7458 Discontinued
0.7296 Intermediate Similarity NPD7680 Approved
0.7288 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD7874 Approved
0.725 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD9269 Phase 2
0.7232 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD1512 Approved
0.7222 Intermediate Similarity NPD5494 Approved
0.7219 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7697 Approved
0.7208 Intermediate Similarity NPD7698 Approved
0.7208 Intermediate Similarity NPD7696 Phase 3
0.7191 Intermediate Similarity NPD5402 Approved
0.7188 Intermediate Similarity NPD6212 Phase 3
0.7188 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6213 Phase 3
0.7168 Intermediate Similarity NPD2532 Approved
0.7168 Intermediate Similarity NPD2534 Approved
0.7168 Intermediate Similarity NPD2533 Approved
0.715 Intermediate Similarity NPD7701 Phase 2
0.7143 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD1549 Phase 2
0.7102 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6801 Discontinued
0.7071 Intermediate Similarity NPD6823 Phase 2
0.7069 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7801 Approved
0.7041 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD3748 Approved
0.7041 Intermediate Similarity NPD1510 Phase 2
0.7035 Intermediate Similarity NPD7003 Approved
0.7035 Intermediate Similarity NPD4628 Phase 3
0.7011 Intermediate Similarity NPD6799 Approved
0.7006 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD1613 Approved
0.7 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5403 Approved
0.6981 Remote Similarity NPD9268 Approved
0.6977 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6971 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6599 Discontinued
0.6965 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6909 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5401 Approved
0.6867 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6865 Remote Similarity NPD7229 Phase 3
0.6839 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6828 Remote Similarity NPD5242 Approved
0.6828 Remote Similarity NPD3926 Phase 2
0.6826 Remote Similarity NPD3027 Phase 3
0.6816 Remote Similarity NPD3226 Approved
0.6813 Remote Similarity NPD5353 Approved
0.6811 Remote Similarity NPD8127 Discontinued
0.6809 Remote Similarity NPD7177 Discontinued
0.6805 Remote Similarity NPD1240 Approved
0.6802 Remote Similarity NPD2796 Approved
0.6802 Remote Similarity NPD2935 Discontinued
0.6786 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6674 Discontinued
0.6774 Remote Similarity NPD5710 Approved
0.6774 Remote Similarity NPD5711 Approved
0.6753 Remote Similarity NPD8434 Phase 2
0.6743 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6732 Remote Similarity NPD7585 Approved
0.6725 Remote Similarity NPD1607 Approved
0.6722 Remote Similarity NPD3455 Phase 2
0.6708 Remote Similarity NPD9545 Approved
0.6705 Remote Similarity NPD1551 Phase 2
0.6703 Remote Similarity NPD919 Approved
0.6699 Remote Similarity NPD7930 Approved
0.6686 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6684 Remote Similarity NPD4287 Approved
0.6683 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD1933 Approved
0.6667 Remote Similarity NPD4908 Phase 1
0.665 Remote Similarity NPD8090 Clinical (unspecified phase)
0.665 Remote Similarity NPD5006 Approved
0.665 Remote Similarity NPD5005 Approved
0.6648 Remote Similarity NPD6273 Approved
0.6634 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6632 Remote Similarity NPD7549 Discontinued
0.663 Remote Similarity NPD4288 Approved
0.6627 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6099 Approved
0.6609 Remote Similarity NPD6100 Approved
0.6607 Remote Similarity NPD9494 Approved
0.6605 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7584 Approved
0.6597 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6592 Remote Similarity NPD4160 Clinical (unspecified phase)
0.659 Remote Similarity NPD8059 Phase 3
0.659 Remote Similarity NPD7097 Phase 1
0.659 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6798 Discontinued
0.6587 Remote Similarity NPD1470 Approved
0.6571 Remote Similarity NPD2346 Discontinued
0.6571 Remote Similarity NPD2029 Clinical (unspecified phase)
0.657 Remote Similarity NPD447 Suspended
0.6557 Remote Similarity NPD6386 Approved
0.6557 Remote Similarity NPD6385 Approved
0.6553 Remote Similarity NPD7999 Approved
0.6545 Remote Similarity NPD7799 Discontinued
0.6543 Remote Similarity NPD1247 Approved
0.6535 Remote Similarity NPD4420 Approved
0.6528 Remote Similarity NPD5953 Discontinued

Structure

External Identifiers

PubChem CID   73644
ChEMBL   CHEMBL446979
ZINC  

Physicochemical Properties

Molecular Weight:  936.09
ALogP:  -7.5719
MLogP:  3.11
XLogP:  -0.967
# Rotatable Bonds:  18
Polar Surface Area:  444.18
# H-Bond Aceptor:  11
# H-Bond Donor:  15
# Rings:  8
# Heavy Atoms:  67

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Biological Activities  
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