Natural Product: NPC175793

Natural Product ID:  NPC175793
Common Name:   n.a.
IUPAC Name:  
Synonyms:   1-Desgalloyleugeniin
Molecular Formula:   C34H26O22
Standard InCHIKey:  YKDNTEQLKGYZHT-JSAIFSMWSA-N
Standard InCHI:  InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1
Canonical SMILES:  O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)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
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO577 Lactifluus subvellereus Species Russulaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO8622 Stauntonia hexaphylla Species Lardizabalaceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO7626 Damnacanthus major Species Rubiaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO9718 Cyphelium chrysocephalum Species Caliciaceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO19259 Agrostis epigeios Species Poaceae Eukaryota UNPD*
NPO5842 Annulohypoxylon truncatum Species Xylariaceae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO7084 Montezuma speciosissima NA NA NA UNPD*
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO2395 Siphonaria australis Species Siphonariidae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO23759 Litsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO22624 Clematis tangutica Species Ranunculaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*
NPO12409 Artemisia jacutica Species Asteraceae Eukaryota UNPD*
NPO1934 Strychnos triplinervia Species Loganiaceae Eukaryota UNPD*
NPO4504 Cassia jahnii Species Fabaceae Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO6072 Andinobates bombetes Species Dendrobatidae Eukaryota UNPD*
NPO5731 Euphorbia humifusa Species Euphorbiaceae Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO6783 Avrainvillea rawsonii Species Udoteaceae Eukaryota UNPD*
NPO2922 Botryosphaeria berengeriana Species Botryosphaeriaceae Eukaryota UNPD*
NPO173 Aconitum sajanense Species Ranunculaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO6041 Lithocolletis coryli NA NA NA UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO5834 Pellicularia sasakii NA NA NA UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO1456 Bersama abyssinica Species Melianthaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO1590 Sinningia aggregata Species Gesneriaceae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO7383 Puccinia lagenophorae Species Pucciniaceae Eukaryota UNPD*
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO9456 Rubus sanctus Species Rosaceae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO8829 Baccharis obtusifolia Species Asteraceae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO15735 Galeocerdo arcticus Species Carcharhinidae Eukaryota UNPD*
NPO1032 Piper attenuatum Species Piperaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1585 Organism Microcystis aeruginosa Microcystis aeruginosa IC50 = 3700 nM 10.1021/np50066a004
NPT1586 Organism Anabaena flos-aquae Dolichospermum flos-aquae IC50 = 9500 nM 10.1021/np50066a004

  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 NPC175793 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
0.9936 High Similarity NPC311389
0.9936 High Similarity NPC470271
0.9811 High Similarity NPC470272
0.981 High Similarity NPC261411
0.981 High Similarity NPC190204
0.981 High Similarity NPC43918
0.981 High Similarity NPC31034
0.9688 High Similarity NPC47521
0.9682 High Similarity NPC291957
0.9682 High Similarity NPC14030
0.962 High Similarity NPC470898
0.9571 High Similarity NPC472723
0.9487 High Similarity NPC247629
0.9487 High Similarity NPC239019
0.9455 High Similarity NPC80956
0.9441 High Similarity NPC217781
0.9437 High Similarity NPC166851
0.9437 High Similarity NPC162169
0.9427 High Similarity NPC172419
0.9427 High Similarity NPC238419
0.9379 High Similarity NPC49983
0.9379 High Similarity NPC317671
0.9379 High Similarity NPC142707
0.9379 High Similarity NPC26536
0.9304 High Similarity NPC474010
0.9304 High Similarity NPC135222
0.9286 High Similarity NPC231254
0.9281 High Similarity NPC8940
0.9245 High Similarity NPC318826
0.9245 High Similarity NPC210501
0.9245 High Similarity NPC114791
0.9245 High Similarity NPC141331
0.9245 High Similarity NPC104222
0.9231 High Similarity NPC111490
0.9231 High Similarity NPC261623
0.9231 High Similarity NPC469650
0.9226 High Similarity NPC123259
0.9226 High Similarity NPC129533
0.9217 High Similarity NPC297574
0.9176 High Similarity NPC65489
0.9172 High Similarity NPC3746
0.9172 High Similarity NPC205037
0.9172 High Similarity NPC61152
0.9172 High Similarity NPC44260
0.9172 High Similarity NPC16024
0.9123 High Similarity NPC477083
0.9123 High Similarity NPC477081
0.9123 High Similarity NPC119094
0.9123 High Similarity NPC269046
0.9123 High Similarity NPC173872
0.9107 High Similarity NPC198902
0.907 High Similarity NPC472721
0.907 High Similarity NPC31208
0.907 High Similarity NPC160543
0.907 High Similarity NPC93065
0.907 High Similarity NPC472720
0.907 High Similarity NPC469652
0.907 High Similarity NPC472724
0.9064 High Similarity NPC260521
0.9064 High Similarity NPC237202
0.9064 High Similarity NPC469649
0.9017 High Similarity NPC264302
0.9012 High Similarity NPC223534
0.9012 High Similarity NPC240200
0.9012 High Similarity NPC290289
0.9012 High Similarity NPC7839
0.9012 High Similarity NPC158214
0.9012 High Similarity NPC142291
0.8974 High Similarity NPC248257
0.8974 High Similarity NPC142528
0.8974 High Similarity NPC120621
0.896 High Similarity NPC187632
0.896 High Similarity NPC201814
0.8941 High Similarity NPC208797
0.8941 High Similarity NPC53680
0.8924 High Similarity NPC140151
0.8922 High Similarity NPC65333
0.8917 High Similarity NPC92117
0.8916 High Similarity NPC95421
0.8916 High Similarity NPC198125
0.8914 High Similarity NPC477082
0.8914 High Similarity NPC476358
0.8908 High Similarity NPC40078
0.8908 High Similarity NPC97924
0.8908 High Similarity NPC471091
0.8902 High Similarity NPC469651
0.8876 High Similarity NPC79736
0.8876 High Similarity NPC67629
0.8869 High Similarity NPC166674
0.8869 High Similarity NPC473550
0.8869 High Similarity NPC46640
0.8869 High Similarity NPC263119
0.8869 High Similarity NPC34436
0.8869 High Similarity NPC219600
0.8862 High Similarity NPC181778
0.8855 High Similarity NPC473818
0.8834 High Similarity NPC24627
0.883 High Similarity NPC125352
0.8824 High Similarity NPC267549
0.882 High Similarity NPC203757
0.8817 High Similarity NPC171706
0.881 High Similarity NPC100251
0.8802 High Similarity NPC149300
0.879 High Similarity NPC268366
0.8788 High Similarity NPC121290
0.8779 High Similarity NPC135831
0.8779 High Similarity NPC297503
0.8779 High Similarity NPC97119
0.8765 High Similarity NPC134925
0.8765 High Similarity NPC291948
0.8765 High Similarity NPC88803
0.8765 High Similarity NPC300845
0.8765 High Similarity NPC250436
0.8765 High Similarity NPC104983
0.8757 High Similarity NPC98583
0.8736 High Similarity NPC105591
0.872 High Similarity NPC24164
0.872 High Similarity NPC289346
0.8718 High Similarity NPC190587
0.8718 High Similarity NPC226738
0.8718 High Similarity NPC121573
0.8718 High Similarity NPC229036
0.8718 High Similarity NPC22176
0.8712 High Similarity NPC160512
0.8712 High Similarity NPC156818
0.8712 High Similarity NPC38779
0.8712 High Similarity NPC289322
0.8712 High Similarity NPC257309
0.8712 High Similarity NPC68324
0.8712 High Similarity NPC114179
0.8708 High Similarity NPC189312
0.8708 High Similarity NPC3474
0.8698 High Similarity NPC47140
0.8698 High Similarity NPC67134
0.869 High Similarity NPC658
0.869 High Similarity NPC197708
0.8688 High Similarity NPC252979
0.8679 High Similarity NPC75945
0.8671 High Similarity NPC132111
0.8667 High Similarity NPC266365
0.8663 High Similarity NPC471030
0.8662 High Similarity NPC108455
0.8659 High Similarity NPC87317
0.8655 High Similarity NPC473713
0.865 High Similarity NPC318432
0.8647 High Similarity NPC175230
0.8647 High Similarity NPC88560
0.8647 High Similarity NPC172033
0.8639 High Similarity NPC204937
0.8639 High Similarity NPC149011
0.8629 High Similarity NPC179947
0.8629 High Similarity NPC269625
0.8616 High Similarity NPC81835
0.8614 High Similarity NPC4013
0.8614 High Similarity NPC33298
0.8614 High Similarity NPC476372
0.8614 High Similarity NPC285108
0.8614 High Similarity NPC90905
0.8614 High Similarity NPC476371
0.8613 High Similarity NPC170203
0.8613 High Similarity NPC469371
0.8611 High Similarity NPC174140
0.8606 High Similarity NPC53889
0.8605 High Similarity NPC253521
0.8605 High Similarity NPC113836
0.8605 High Similarity NPC37668
0.8605 High Similarity NPC258044
0.8605 High Similarity NPC476619
0.8605 High Similarity NPC196127
0.8605 High Similarity NPC293626
0.8605 High Similarity NPC476618
0.8605 High Similarity NPC267680
0.8605 High Similarity NPC476620
0.8605 High Similarity NPC476622
0.8605 High Similarity NPC476621
0.8605 High Similarity NPC217387
0.8605 High Similarity NPC476623
0.8598 High Similarity NPC472860
0.8589 High Similarity NPC472835
0.8589 High Similarity NPC172920
0.8589 High Similarity NPC156624
0.8588 High Similarity NPC102851
0.8588 High Similarity NPC38438
0.8588 High Similarity NPC5786
0.858 High Similarity NPC473618
0.8571 High Similarity NPC104910
0.8571 High Similarity NPC112380
0.8571 High Similarity NPC474093
0.8555 High Similarity NPC472726
0.8555 High Similarity NPC472725
0.8547 High Similarity NPC472992
0.8547 High Similarity NPC472991
0.8547 High Similarity NPC144097
0.8547 High Similarity NPC61904
0.8545 High Similarity NPC471750
0.8538 High Similarity NPC472993
0.8529 High Similarity NPC476365
0.8528 High Similarity NPC125487
0.8528 High Similarity NPC238672
0.8528 High Similarity NPC144801

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175793 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
0.881 High Similarity NPD7993 Clinical (unspecified phase)
0.8765 High Similarity NPD4868 Clinical (unspecified phase)
0.8303 Intermediate Similarity NPD1465 Phase 2
0.8256 Intermediate Similarity NPD5844 Phase 1
0.8208 Intermediate Similarity NPD7074 Phase 3
0.8208 Intermediate Similarity NPD7472 Approved
0.8198 Intermediate Similarity NPD3818 Discontinued
0.8198 Intermediate Similarity NPD7228 Approved
0.8171 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD6797 Phase 2
0.815 Intermediate Similarity NPD7054 Approved
0.8125 Intermediate Similarity NPD8312 Approved
0.8125 Intermediate Similarity NPD8313 Approved
0.8114 Intermediate Similarity NPD7251 Discontinued
0.8101 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD6166 Phase 2
0.8081 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD6232 Discontinued
0.8068 Intermediate Similarity NPD7808 Phase 3
0.8047 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8042 Intermediate Similarity NPD8151 Discontinued
0.8011 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6234 Discontinued
0.7976 Intermediate Similarity NPD8455 Phase 2
0.7963 Intermediate Similarity NPD6190 Approved
0.7962 Intermediate Similarity NPD230 Phase 1
0.7931 Intermediate Similarity NPD7473 Discontinued
0.7917 Intermediate Similarity NPD37 Approved
0.7907 Intermediate Similarity NPD6959 Discontinued
0.7882 Intermediate Similarity NPD4967 Phase 2
0.7882 Intermediate Similarity NPD4965 Approved
0.7882 Intermediate Similarity NPD4966 Approved
0.7826 Intermediate Similarity NPD7266 Discontinued
0.7811 Intermediate Similarity NPD1934 Approved
0.7809 Intermediate Similarity NPD7685 Pre-registration
0.7809 Intermediate Similarity NPD7240 Approved
0.7803 Intermediate Similarity NPD7199 Phase 2
0.7798 Intermediate Similarity NPD4380 Phase 2
0.7771 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7735 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7709 Intermediate Similarity NPD6559 Discontinued
0.7661 Intermediate Similarity NPD7819 Suspended
0.7651 Intermediate Similarity NPD7390 Discontinued
0.763 Intermediate Similarity NPD3749 Approved
0.7614 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7605 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD8150 Discontinued
0.7584 Intermediate Similarity NPD3751 Discontinued
0.7574 Intermediate Similarity NPD1653 Approved
0.7572 Intermediate Similarity NPD7768 Phase 2
0.7558 Intermediate Similarity NPD2801 Approved
0.7557 Intermediate Similarity NPD3787 Discontinued
0.7552 Intermediate Similarity NPD8320 Phase 1
0.7552 Intermediate Similarity NPD8319 Approved
0.754 Intermediate Similarity NPD6535 Approved
0.754 Intermediate Similarity NPD6534 Approved
0.7529 Intermediate Similarity NPD7075 Discontinued
0.7514 Intermediate Similarity NPD3817 Phase 2
0.7513 Intermediate Similarity NPD7699 Phase 2
0.7513 Intermediate Similarity NPD7700 Phase 2
0.75 Intermediate Similarity NPD7435 Discontinued
0.7471 Intermediate Similarity NPD3882 Suspended
0.747 Intermediate Similarity NPD3750 Approved
0.7453 Intermediate Similarity NPD943 Approved
0.7442 Intermediate Similarity NPD7411 Suspended
0.744 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD1511 Approved
0.7439 Intermediate Similarity NPD5406 Approved
0.7439 Intermediate Similarity NPD5405 Approved
0.7439 Intermediate Similarity NPD5408 Approved
0.7439 Intermediate Similarity NPD5404 Approved
0.7438 Intermediate Similarity NPD3764 Approved
0.7435 Intermediate Similarity NPD6779 Approved
0.7435 Intermediate Similarity NPD6776 Approved
0.7435 Intermediate Similarity NPD6780 Approved
0.7435 Intermediate Similarity NPD6781 Approved
0.7435 Intermediate Similarity NPD6782 Approved
0.7435 Intermediate Similarity NPD6777 Approved
0.7435 Intermediate Similarity NPD6778 Approved
0.7414 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD5402 Approved
0.7411 Intermediate Similarity NPD7783 Phase 2
0.7411 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD7680 Approved
0.7382 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD9269 Phase 2
0.7371 Intermediate Similarity NPD7871 Phase 2
0.7371 Intermediate Similarity NPD7870 Phase 2
0.7365 Intermediate Similarity NPD8166 Discontinued
0.736 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7874 Approved
0.7356 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1512 Approved
0.7349 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD5494 Approved
0.7326 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD7697 Approved
0.732 Intermediate Similarity NPD7696 Phase 3
0.732 Intermediate Similarity NPD7698 Approved
0.7302 Intermediate Similarity NPD6212 Phase 3
0.7302 Intermediate Similarity NPD6213 Phase 3
0.7302 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6801 Discontinued
0.7294 Intermediate Similarity NPD2534 Approved
0.7294 Intermediate Similarity NPD2533 Approved
0.7294 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD2532 Approved
0.7273 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4628 Phase 3
0.7259 Intermediate Similarity NPD7701 Phase 2
0.7246 Intermediate Similarity NPD1549 Phase 2
0.7239 Intermediate Similarity NPD1613 Approved
0.7239 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD7458 Discontinued
0.7209 Intermediate Similarity NPD5403 Approved
0.7186 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6823 Phase 2
0.7169 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD3748 Approved
0.7169 Intermediate Similarity NPD1510 Phase 2
0.715 Intermediate Similarity NPD7801 Approved
0.7135 Intermediate Similarity NPD6799 Approved
0.7115 Intermediate Similarity NPD9268 Approved
0.7101 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD5401 Approved
0.7087 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6599 Discontinued
0.7059 Intermediate Similarity NPD7003 Approved
0.7055 Intermediate Similarity NPD3027 Phase 3
0.7037 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD8127 Discontinued
0.6994 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6994 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6985 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7229 Phase 3
0.6959 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6947 Remote Similarity NPD8434 Phase 2
0.694 Remote Similarity NPD3926 Phase 2
0.694 Remote Similarity NPD5242 Approved
0.6932 Remote Similarity NPD3226 Approved
0.6928 Remote Similarity NPD1240 Approved
0.6927 Remote Similarity NPD5353 Approved
0.6923 Remote Similarity NPD2796 Approved
0.6923 Remote Similarity NPD2935 Discontinued
0.6919 Remote Similarity NPD7177 Discontinued
0.6909 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6901 Remote Similarity NPD6674 Discontinued
0.6885 Remote Similarity NPD5710 Approved
0.6885 Remote Similarity NPD5711 Approved
0.686 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6273 Approved
0.6845 Remote Similarity NPD1607 Approved
0.6837 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6836 Remote Similarity NPD3455 Phase 2
0.6835 Remote Similarity NPD9545 Approved
0.6832 Remote Similarity NPD7585 Approved
0.6824 Remote Similarity NPD1551 Phase 2
0.6813 Remote Similarity NPD919 Approved
0.6796 Remote Similarity NPD7930 Approved
0.6788 Remote Similarity NPD4908 Phase 1
0.6788 Remote Similarity NPD4287 Approved
0.6782 Remote Similarity NPD7583 Approved
0.674 Remote Similarity NPD4288 Approved
0.6737 Remote Similarity NPD7549 Discontinued
0.6734 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6727 Remote Similarity NPD9494 Approved
0.6725 Remote Similarity NPD6100 Approved
0.6725 Remote Similarity NPD6099 Approved
0.6707 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6798 Discontinued
0.6707 Remote Similarity NPD1470 Approved
0.6706 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6706 Remote Similarity NPD7097 Phase 1
0.6705 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6702 Remote Similarity NPD8470 Clinical (unspecified phase)
0.67 Remote Similarity NPD7584 Approved
0.6698 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1933 Approved
0.6686 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6686 Remote Similarity NPD447 Suspended
0.6686 Remote Similarity NPD2346 Discontinued
0.6682 Remote Similarity NPD8059 Phase 3
0.6682 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6385 Approved
0.6667 Remote Similarity NPD5005 Approved
0.6667 Remote Similarity NPD5006 Approved
0.6667 Remote Similarity NPD6386 Approved
0.665 Remote Similarity NPD7999 Approved
0.6649 Remote Similarity NPD1247 Approved
0.6649 Remote Similarity NPD7799 Discontinued
0.6647 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5953 Discontinued
0.6629 Remote Similarity NPD920 Approved

Structure

External Identifiers

PubChem CID   9918701
ChEMBL   CHEMBL450376
ZINC  

Physicochemical Properties

Molecular Weight:  786.09
ALogP:  -6.5602
MLogP:  2.78
XLogP:  -0.957
# Rotatable Bonds:  19
Polar Surface Area:  377.42
# H-Bond Aceptor:  10
# H-Bond Donor:  13
# Rings:  6
# Heavy Atoms:  56

Download Data

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