Natural Product: NPC195196

Natural Product ID:  NPC195196
Common Name:   Sinapyl 9-O-[Beta-D-Apiofuranosyl(1->6)]-O-Beta-D-Glucopyranoside
IUPAC Name:   (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C22H32O13
Standard InCHIKey:  AZWYALFKHJLDEH-AFDHUBDESA-N
Standard InCHI:  InChI=1S/C22H32O13/c1-30-12-6-11(7-13(31-2)15(12)24)4-3-5-32-20-18(27)17(26)16(25)14(35-20)8-33-21-19(28)22(29,9-23)10-34-21/h3-4,6-7,14,16-21,23-29H,5,8-10H2,1-2H3/b4-3+/t14-,16-,17+,18-,19+,20-,21-,22-/m1/s1
Canonical SMILES:  OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OC/C=C/c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2535 Tissue Plasma Oryctolagus cuniculus Activity = 12.2 % 15620261
NPT2535 Tissue Plasma Oryctolagus cuniculus Activity = 14.4 % 15620261
NPT2535 Tissue Plasma Oryctolagus cuniculus Activity = 17.6 % 15620261
NPT632 Tissue Brain Rattus norvegicus Activity = 32.1 % 15620261
NPT632 Tissue Brain Rattus norvegicus Activity = 29.8 % 15620261
NPT632 Tissue Brain Rattus norvegicus Activity = 26.5 % 15620261

  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 NPC195196 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
0.9692 High Similarity NPC132895
0.9615 High Similarity NPC252833
0.9542 High Similarity NPC6836
0.947 High Similarity NPC470881
0.947 High Similarity NPC107478
0.9466 High Similarity NPC470270
0.9416 High Similarity NPC297342
0.9394 High Similarity NPC49074
0.9385 High Similarity NPC307110
0.9333 High Similarity NPC212770
0.9333 High Similarity NPC98777
0.9328 High Similarity NPC164857
0.9318 High Similarity NPC162093
0.9275 High Similarity NPC472713
0.9275 High Similarity NPC187774
0.9275 High Similarity NPC473046
0.9275 High Similarity NPC472712
0.9275 High Similarity NPC118385
0.927 High Similarity NPC469559
0.9259 High Similarity NPC59324
0.9259 High Similarity NPC65530
0.9254 High Similarity NPC470236
0.9248 High Similarity NPC25821
0.9242 High Similarity NPC65942
0.9242 High Similarity NPC248307
0.9214 High Similarity NPC39657
0.9185 High Similarity NPC203230
0.9185 High Similarity NPC242028
0.9179 High Similarity NPC251981
0.9179 High Similarity NPC48863
0.9179 High Similarity NPC35731
0.9179 High Similarity NPC13745
0.9173 High Similarity NPC299144
0.913 High Similarity NPC5262
0.913 High Similarity NPC475084
0.913 High Similarity NPC472714
0.913 High Similarity NPC189115
0.9118 High Similarity NPC304152
0.9104 High Similarity NPC69513
0.9104 High Similarity NPC215833
0.9091 High Similarity NPC248355
0.9091 High Similarity NPC470633
0.9091 High Similarity NPC228769
0.9085 High Similarity NPC51328
0.9085 High Similarity NPC55158
0.9085 High Similarity NPC283839
0.9085 High Similarity NPC286235
0.9085 High Similarity NPC90896
0.9071 High Similarity NPC475096
0.9065 High Similarity NPC46092
0.9058 High Similarity NPC472711
0.9058 High Similarity NPC469661
0.9051 High Similarity NPC226005
0.9044 High Similarity NPC52277
0.9044 High Similarity NPC172818
0.9044 High Similarity NPC25695
0.9044 High Similarity NPC199459
0.9044 High Similarity NPC177035
0.9015 High Similarity NPC302378
0.9014 High Similarity NPC130449
0.9014 High Similarity NPC248132
0.9 High Similarity NPC110063
0.9 High Similarity NPC283995
0.9 High Similarity NPC470235
0.9 High Similarity NPC129417
0.9 High Similarity NPC84181
0.9 High Similarity NPC473045
0.9 High Similarity NPC25292
0.8978 High Similarity NPC470413
0.8978 High Similarity NPC474039
0.8978 High Similarity NPC138738
0.8963 High Similarity NPC294166
0.8963 High Similarity NPC115022
0.8955 High Similarity NPC470096
0.8955 High Similarity NPC470095
0.8947 High Similarity NPC166040
0.8944 High Similarity NPC227902
0.8936 High Similarity NPC18979
0.8929 High Similarity NPC473044
0.8929 High Similarity NPC252169
0.8929 High Similarity NPC185307
0.8929 High Similarity NPC470950
0.8929 High Similarity NPC477898
0.8929 High Similarity NPC81638
0.8905 High Similarity NPC197723
0.8905 High Similarity NPC104167
0.8905 High Similarity NPC40664
0.8905 High Similarity NPC138350
0.8905 High Similarity NPC165482
0.8905 High Similarity NPC157554
0.8905 High Similarity NPC3293
0.8897 High Similarity NPC472611
0.8897 High Similarity NPC472612
0.8897 High Similarity NPC289967
0.8889 High Similarity NPC26080
0.8889 High Similarity NPC85799
0.8889 High Similarity NPC472709
0.8889 High Similarity NPC472710
0.8889 High Similarity NPC165686
0.8889 High Similarity NPC303422
0.8881 High Similarity NPC80600
0.8881 High Similarity NPC472024
0.8873 High Similarity NPC190714
0.8873 High Similarity NPC99515
0.8873 High Similarity NPC112861
0.8873 High Similarity NPC125755
0.8864 High Similarity NPC473960
0.8857 High Similarity NPC476356
0.8849 High Similarity NPC210478
0.8849 High Similarity NPC177868
0.8832 High Similarity NPC236522
0.8832 High Similarity NPC238243
0.8832 High Similarity NPC101624
0.8832 High Similarity NPC184938
0.8824 High Similarity NPC471390
0.8824 High Similarity NPC471391
0.8819 High Similarity NPC106138
0.8815 High Similarity NPC473412
0.8815 High Similarity NPC469698
0.8815 High Similarity NPC166168
0.8815 High Similarity NPC121376
0.8806 High Similarity NPC26653
0.8806 High Similarity NPC270849
0.8803 High Similarity NPC161700
0.8803 High Similarity NPC38041
0.8803 High Similarity NPC279298
0.8803 High Similarity NPC262182
0.8803 High Similarity NPC277867
0.8803 High Similarity NPC287615
0.8803 High Similarity NPC216819
0.8803 High Similarity NPC83743
0.8803 High Similarity NPC22150
0.8794 High Similarity NPC298317
0.8794 High Similarity NPC185071
0.8794 High Similarity NPC12728
0.8794 High Similarity NPC255566
0.8788 High Similarity NPC90318
0.8788 High Similarity NPC12308
0.8777 High Similarity NPC100389
0.8759 High Similarity NPC244983
0.8759 High Similarity NPC326095
0.8759 High Similarity NPC87696
0.8759 High Similarity NPC188555
0.8759 High Similarity NPC287745
0.8759 High Similarity NPC170694
0.8759 High Similarity NPC130496
0.8759 High Similarity NPC187194
0.875 High Similarity NPC35932
0.875 High Similarity NPC7903
0.875 High Similarity NPC253105
0.875 High Similarity NPC201587
0.875 High Similarity NPC270751
0.875 High Similarity NPC184447
0.875 High Similarity NPC160991
0.875 High Similarity NPC16208
0.875 High Similarity NPC478237
0.875 High Similarity NPC175976
0.8741 High Similarity NPC63574
0.8741 High Similarity NPC212890
0.8741 High Similarity NPC262606
0.8732 High Similarity NPC469313
0.8732 High Similarity NPC76176
0.8732 High Similarity NPC138227
0.8732 High Similarity NPC168579
0.8723 High Similarity NPC41782
0.8714 High Similarity NPC106944
0.8705 High Similarity NPC185908
0.8705 High Similarity NPC283949
0.8705 High Similarity NPC124149
0.8686 High Similarity NPC196937
0.8686 High Similarity NPC112237
0.8686 High Similarity NPC254398
0.8686 High Similarity NPC158331
0.8686 High Similarity NPC58585
0.8681 High Similarity NPC15956
0.8681 High Similarity NPC224674
0.8681 High Similarity NPC473480
0.8681 High Similarity NPC114505
0.8681 High Similarity NPC193473
0.8681 High Similarity NPC213074
0.8681 High Similarity NPC15538
0.8681 High Similarity NPC31325
0.8681 High Similarity NPC275284
0.8676 High Similarity NPC30043
0.8676 High Similarity NPC469625
0.8676 High Similarity NPC469613
0.8676 High Similarity NPC472597
0.8676 High Similarity NPC475067
0.8676 High Similarity NPC9912
0.8671 High Similarity NPC477702
0.8671 High Similarity NPC469586
0.8667 High Similarity NPC218003
0.8667 High Similarity NPC476968
0.8667 High Similarity NPC170844
0.8662 High Similarity NPC37793
0.8662 High Similarity NPC113680
0.8662 High Similarity NPC278961
0.8652 High Similarity NPC257095
0.8652 High Similarity NPC273932
0.8652 High Similarity NPC89686

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC195196 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
0.8667 High Similarity NPD3027 Phase 3
0.8435 Intermediate Similarity NPD1653 Approved
0.8258 Intermediate Similarity NPD1357 Approved
0.8214 Intermediate Similarity NPD1613 Approved
0.8214 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD7266 Discontinued
0.8074 Intermediate Similarity NPD1091 Approved
0.8074 Intermediate Similarity NPD3705 Approved
0.805 Intermediate Similarity NPD7228 Approved
0.7949 Intermediate Similarity NPD6234 Discontinued
0.7929 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD7054 Approved
0.7857 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD37 Approved
0.784 Intermediate Similarity NPD7074 Phase 3
0.784 Intermediate Similarity NPD7472 Approved
0.7826 Intermediate Similarity NPD3818 Discontinued
0.7826 Intermediate Similarity NPD2983 Phase 2
0.7826 Intermediate Similarity NPD2982 Phase 2
0.7821 Intermediate Similarity NPD4967 Phase 2
0.7821 Intermediate Similarity NPD4966 Approved
0.7821 Intermediate Similarity NPD4965 Approved
0.7754 Intermediate Similarity NPD2981 Phase 2
0.7652 Intermediate Similarity NPD228 Approved
0.7651 Intermediate Similarity NPD6674 Discontinued
0.7636 Intermediate Similarity NPD7251 Discontinued
0.7606 Intermediate Similarity NPD3018 Phase 2
0.759 Intermediate Similarity NPD7808 Phase 3
0.7576 Intermediate Similarity NPD6797 Phase 2
0.753 Intermediate Similarity NPD7685 Pre-registration
0.753 Intermediate Similarity NPD7240 Approved
0.7516 Intermediate Similarity NPD7199 Phase 2
0.7485 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD2977 Approved
0.7468 Intermediate Similarity NPD2978 Approved
0.7447 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1934 Approved
0.7386 Intermediate Similarity NPD5058 Phase 3
0.7338 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6559 Discontinued
0.7317 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD4908 Phase 1
0.7308 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6166 Phase 2
0.7273 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD3882 Suspended
0.7251 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD3620 Phase 2
0.723 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6190 Approved
0.7206 Intermediate Similarity NPD7843 Approved
0.7205 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD4749 Approved
0.7191 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD4237 Approved
0.719 Intermediate Similarity NPD4236 Phase 3
0.7183 Intermediate Similarity NPD1610 Phase 2
0.7181 Intermediate Similarity NPD230 Phase 1
0.7174 Intermediate Similarity NPD7157 Approved
0.7171 Intermediate Similarity NPD1375 Discontinued
0.7153 Intermediate Similarity NPD5283 Phase 1
0.7143 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1548 Phase 1
0.7143 Intermediate Similarity NPD2801 Approved
0.7127 Intermediate Similarity NPD7680 Approved
0.7123 Intermediate Similarity NPD2861 Phase 2
0.7115 Intermediate Similarity NPD4357 Discontinued
0.7107 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD1652 Phase 2
0.7069 Intermediate Similarity NPD6842 Approved
0.7069 Intermediate Similarity NPD6841 Approved
0.7069 Intermediate Similarity NPD6843 Phase 3
0.7063 Intermediate Similarity NPD4678 Approved
0.7063 Intermediate Similarity NPD4675 Approved
0.7059 Intermediate Similarity NPD3540 Phase 1
0.7055 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD6671 Approved
0.7037 Intermediate Similarity NPD5772 Approved
0.7037 Intermediate Similarity NPD2684 Approved
0.7037 Intermediate Similarity NPD5773 Approved
0.7027 Intermediate Similarity NPD4625 Phase 3
0.7 Intermediate Similarity NPD1558 Phase 1
0.6994 Remote Similarity NPD3817 Phase 2
0.6993 Remote Similarity NPD3539 Phase 1
0.6987 Remote Similarity NPD2219 Phase 1
0.6987 Remote Similarity NPD5307 Clinical (unspecified phase)
0.698 Remote Similarity NPD6859 Clinical (unspecified phase)
0.697 Remote Similarity NPD291 Approved
0.6968 Remote Similarity NPD3060 Approved
0.6963 Remote Similarity NPD290 Approved
0.6957 Remote Similarity NPD4380 Phase 2
0.6954 Remote Similarity NPD5124 Phase 1
0.6954 Remote Similarity NPD5123 Clinical (unspecified phase)
0.695 Remote Similarity NPD5536 Phase 2
0.6944 Remote Similarity NPD422 Phase 1
0.6933 Remote Similarity NPD8455 Phase 2
0.6928 Remote Similarity NPD5588 Approved
0.6923 Remote Similarity NPD5125 Phase 3
0.6923 Remote Similarity NPD5126 Approved
0.6908 Remote Similarity NPD6653 Approved
0.6899 Remote Similarity NPD1511 Approved
0.6899 Remote Similarity NPD5297 Approved
0.6894 Remote Similarity NPD1242 Phase 1
0.6892 Remote Similarity NPD9494 Approved
0.6867 Remote Similarity NPD3145 Approved
0.6867 Remote Similarity NPD3144 Approved
0.6863 Remote Similarity NPD4538 Approved
0.6863 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6863 Remote Similarity NPD7097 Phase 1
0.6863 Remote Similarity NPD4536 Approved
0.6861 Remote Similarity NPD556 Approved
0.6861 Remote Similarity NPD3022 Approved
0.6861 Remote Similarity NPD3021 Approved
0.686 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6859 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6845 Remote Similarity NPD3787 Discontinued
0.6842 Remote Similarity NPD5844 Phase 1
0.6832 Remote Similarity NPD3686 Approved
0.6832 Remote Similarity NPD3687 Approved
0.6821 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6821 Remote Similarity NPD2674 Phase 3
0.6813 Remote Similarity NPD1512 Approved
0.6807 Remote Similarity NPD7075 Discontinued
0.6803 Remote Similarity NPD8651 Approved
0.6797 Remote Similarity NPD2492 Phase 1
0.6795 Remote Similarity NPD2424 Discontinued
0.679 Remote Similarity NPD4005 Discontinued
0.6788 Remote Similarity NPD5353 Approved
0.678 Remote Similarity NPD7906 Approved
0.6776 Remote Similarity NPD2238 Phase 2
0.6776 Remote Similarity NPD4060 Phase 1
0.6774 Remote Similarity NPD3454 Phase 3
0.6769 Remote Similarity NPD9296 Approved
0.6753 Remote Similarity NPD6111 Discontinued
0.6752 Remote Similarity NPD5177 Phase 3
0.675 Remote Similarity NPD4123 Phase 3
0.6746 Remote Similarity NPD6232 Discontinued
0.6732 Remote Similarity NPD5735 Approved
0.6731 Remote Similarity NPD5763 Approved
0.6731 Remote Similarity NPD5762 Approved
0.6731 Remote Similarity NPD2029 Clinical (unspecified phase)
0.673 Remote Similarity NPD7124 Phase 2
0.673 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6727 Remote Similarity NPD1465 Phase 2
0.6726 Remote Similarity NPD5494 Approved
0.6725 Remote Similarity NPD7473 Discontinued
0.6715 Remote Similarity NPD1358 Approved
0.671 Remote Similarity NPD5960 Phase 3
0.671 Remote Similarity NPD4108 Discontinued
0.6709 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6709 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6709 Remote Similarity NPD4110 Phase 3
0.6709 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5604 Discontinued
0.6689 Remote Similarity NPD7095 Approved
0.6689 Remote Similarity NPD6696 Suspended
0.6687 Remote Similarity NPD2563 Approved
0.6687 Remote Similarity NPD1774 Approved
0.6687 Remote Similarity NPD2560 Approved
0.6686 Remote Similarity NPD3751 Discontinued
0.6667 Remote Similarity NPD3384 Approved
0.6667 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD3382 Approved
0.6667 Remote Similarity NPD2677 Approved
0.6667 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6100 Approved
0.6667 Remote Similarity NPD3383 Approved
0.6648 Remote Similarity NPD7311 Approved
0.6648 Remote Similarity NPD7310 Approved
0.6648 Remote Similarity NPD7313 Approved
0.6648 Remote Similarity NPD7312 Approved
0.6647 Remote Similarity NPD6071 Discontinued
0.6646 Remote Similarity NPD7447 Phase 1
0.6646 Remote Similarity NPD4162 Approved
0.6646 Remote Similarity NPD7028 Phase 2
0.6642 Remote Similarity NPD968 Approved
0.6629 Remote Similarity NPD4663 Approved
0.6627 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6627 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6627 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6623 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6623 Remote Similarity NPD6355 Discontinued
0.6622 Remote Similarity NPD3685 Discontinued
0.661 Remote Similarity NPD7309 Approved
0.6605 Remote Similarity NPD7526 Approved
0.6605 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6605 Remote Similarity NPD52 Approved
0.6605 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4628 Phase 3
0.6601 Remote Similarity NPD6233 Phase 2
0.6601 Remote Similarity NPD554 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11386564
ChEMBL   CHEMBL519405
ZINC  

Physicochemical Properties

Molecular Weight:  504.18
ALogP:  -3.7004
MLogP:  2.45
XLogP:  -1.754
# Rotatable Bonds:  19
Polar Surface Area:  196.99
# H-Bond Aceptor:  10
# H-Bond Donor:  7
# Rings:  3
# Heavy Atoms:  35

Download Data

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