Natural Product: NPC71686

Natural Product ID:  NPC71686
Common Name:   n.a.
IUPAC Name:  
Synonyms:   (+)-Alpha-Viniferin; Alpha-Viniferin
Molecular Formula:   C42H30O9
Standard InCHIKey:  KUTVNHOAKHJJFL-ZSIJVUTGSA-N
Standard InCHI:  InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1
Canonical SMILES:  Oc1cc2c3c(c1)O[C@H]([C@@H]3c1cc(O)cc3c1[C@@H](c1c4[C@H]2[C@H](Oc4cc(c1)O)c1ccc(cc1)O)[C@@H](O3)c1ccc(cc1)O)c1ccc(cc1)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
NPO14000 Hopea exalata Species Dipterocarpaceae Eukaryota stem bark Botanical Garden at Jianfeng Town, Ledong County, Hainan Province, China 2004-JUL PMID[17190464]
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota UNPD*
NPO2042 Garcinia bancana Species Clusiaceae Eukaryota UNPD*
NPO15227 Helipterum roseum Species Asteraceae Eukaryota UNPD*
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota UNPD*
NPO21724 Sabina sargentii NA NA NA UNPD*
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota UNPD*
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota UNPD*
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota UNPD*
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota UNPD*
NPO14958 Duguetia eximia Species Annonaceae Eukaryota UNPD*
NPO13847 Streptomyces avermitilis Species Streptomycetaceae Bacteria UNPD*
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota UNPD*
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota UNPD*
NPO13778 Melandrium turkestanicum NA NA NA UNPD*
NPO14859 Bishovia boliviensis NA NA NA UNPD*
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota UNPD*
NPO14476 Sterculia alata Species Malvaceae Eukaryota UNPD*
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota UNPD*
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria UNPD*
NPO15063 Leathesia nana Species Chordariaceae Eukaryota UNPD*
NPO15552 Anacystis montana NA NA NA UNPD*
NPO15134 Alnus glutinosa Species Betulaceae Eukaryota UNPD*
NPO30661 Caragana Genus Fabaceae Eukaryota Root PMID[2337958]
NPO913 Pelophylax plancyi Species Ranidae Eukaryota UNPD*
NPO14028 Guizotia abyssinica Species Asteraceae Eukaryota UNPD*
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota UNPD*
NPO28914 Caragana sinica Species Fabaceae Eukaryota PMID[22209460]
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota UNPD*
NPO28914 Caragana sinica Species Fabaceae Eukaryota TM-MC*
NPO26194 Shorea roxburghii Species Dipterocarpaceae Eukaryota Barks PMID[22209731]
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota UNPD*
NPO13369 Morinda longiflora Species Rubiaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota UNPD*
NPO10989 Annona cornifolia Species Annonaceae Eukaryota UNPD*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota UNPD*
NPO15803 Artemisia assoana Species Asteraceae Eukaryota UNPD*
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota UNPD*
NPO11641 Solanum laxum Species Solanaceae Eukaryota UNPD*
NPO9711 Leccinum aurantiacum Species Boletaceae Eukaryota UNPD*
NPO17544 Acacia adunca Species Fabaceae Eukaryota UNPD*
NPO11728 Shorea hemsleyana Species Dipterocarpaceae Eukaryota UNPD*
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota UNPD*
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota UNPD*
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria UNPD*
NPO17633 Viguiera incana Species Asteraceae Eukaryota UNPD*
NPO12673 Phyllanthus acidus Species Phyllanthaceae Eukaryota UNPD*
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota UNPD*
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota UNPD*
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota UNPD*
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota UNPD*
NPO16805 Senecio cisplatinus Species Asteraceae Eukaryota UNPD*
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota UNPD*
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota UNPD*
NPO16347 Viguiera greggii Species Asteraceae Eukaryota UNPD*
NPO14547 Ilex pubescens Species Aquifoliaceae Eukaryota UNPD*
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota UNPD*
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota UNPD*
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota UNPD*
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota UNPD*
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota UNPD*
NPO16691 Viguiera radula Species Asteraceae Eukaryota UNPD*
NPO17995 Xeromphis spinosa NA NA NA UNPD*
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota UNPD*
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota UNPD*
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota UNPD*
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota UNPD*
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota UNPD*
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota UNPD*
NPO7562 Premna odorata Species Lamiaceae Eukaryota UNPD*
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2705 Organism Alternaria solani Alternaria solani MIC = 3.12 ug/ml 17190464
NPT826 Organism Magnaporthe oryzae Magnaporthe oryzae MIC = 6.25 ug/ml 17190464
NPT2637 Organism Colletotrichum lagenarium Colletotrichum lagenarium MIC = 12.5 ug/ml 17190464
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum MIC = 25.2 ug/ml 17190464
NPT962 Organism Alternaria alternata Alternaria alternata MIC > 50 ug/ml 17190464
NPT1199 Organism Valsa mali Valsa mali MIC > 50 ug/ml 17190464
NPT1 Others Radical scavenging activity IC50 > 200000 nM 22209460
NPT2 Others Unspecified IC50 > 200000 nM 22209460
NPT32 Organism Mus musculus Mus musculus Inhibition = 151.2 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 219.8 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 173.3 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 153.5 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 184.2 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 167.2 % 22209731
NPT32 Organism Mus musculus Mus musculus Activity = 69.4 % 22209731
NPT32 Organism Mus musculus Mus musculus Inhibition = 15.4 % 22209731
NPT1765 Tissue Intestine Rattus norvegicus Inhibition = 18.2 % 22209731
NPT671 Individual Protein Acidic alpha-glucosidase Rattus norvegicus IC50 = 172000 nM 22209731
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus IC50 = 234000 nM 22209731
NPT68 Individual Protein Aldose reductase Rattus norvegicus IC50 = 7800 nM 22209731
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Ratio IC50 = 3 23353752

  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 NPC71686 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 NPC176804
0.9784 High Similarity NPC149633
0.9645 High Similarity NPC6702
0.9645 High Similarity NPC133209
0.9645 High Similarity NPC112819
0.9371 High Similarity NPC224921
0.9371 High Similarity NPC111134
0.9371 High Similarity NPC242774
0.9371 High Similarity NPC237546
0.9371 High Similarity NPC231712
0.931 High Similarity NPC218801
0.9275 High Similarity NPC11727
0.9275 High Similarity NPC15109
0.9247 High Similarity NPC233886
0.9247 High Similarity NPC157081
0.9247 High Similarity NPC224528
0.9247 High Similarity NPC105073
0.9167 High Similarity NPC14468
0.9128 High Similarity NPC202104
0.911 High Similarity NPC148516
0.911 High Similarity NPC180605
0.911 High Similarity NPC107862
0.911 High Similarity NPC177172
0.911 High Similarity NPC122980
0.9054 High Similarity NPC473018
0.9054 High Similarity NPC120633
0.9014 High Similarity NPC174787
0.9014 High Similarity NPC213607
0.9014 High Similarity NPC182509
0.9 High Similarity NPC125579
0.8954 High Similarity NPC90822
0.8936 High Similarity NPC141717
0.8933 High Similarity NPC157333
0.8897 High Similarity NPC304894
0.8897 High Similarity NPC15659
0.8828 High Similarity NPC163508
0.8828 High Similarity NPC173203
0.88 High Similarity NPC476391
0.8794 High Similarity NPC476615
0.8794 High Similarity NPC476617
0.8794 High Similarity NPC476616
0.8741 High Similarity NPC470308
0.8741 High Similarity NPC470307
0.8714 High Similarity NPC473309
0.8705 High Similarity NPC471519
0.8705 High Similarity NPC471518
0.8675 High Similarity NPC233467
0.8671 High Similarity NPC471522
0.8609 High Similarity NPC324517
0.8609 High Similarity NPC321972
0.8609 High Similarity NPC329343
0.859 High Similarity NPC48880
0.8533 High Similarity NPC329836
0.8533 High Similarity NPC227516
0.8533 High Similarity NPC20757
0.8531 High Similarity NPC473107
0.8511 High Similarity NPC254000
0.8493 Intermediate Similarity NPC273623
0.8483 Intermediate Similarity NPC71465
0.8483 Intermediate Similarity NPC472646
0.8477 Intermediate Similarity NPC470098
0.8477 Intermediate Similarity NPC473266
0.8477 Intermediate Similarity NPC470826
0.8472 Intermediate Similarity NPC258780
0.8472 Intermediate Similarity NPC37410
0.8467 Intermediate Similarity NPC320671
0.8467 Intermediate Similarity NPC320970
0.8467 Intermediate Similarity NPC328567
0.8467 Intermediate Similarity NPC327412
0.8462 Intermediate Similarity NPC469610
0.8451 Intermediate Similarity NPC237424
0.8451 Intermediate Similarity NPC8899
0.8451 Intermediate Similarity NPC471517
0.8451 Intermediate Similarity NPC238168
0.8435 Intermediate Similarity NPC100482
0.8435 Intermediate Similarity NPC277331
0.8431 Intermediate Similarity NPC59692
0.8417 Intermediate Similarity NPC113495
0.8414 Intermediate Similarity NPC133463
0.8414 Intermediate Similarity NPC472647
0.8414 Intermediate Similarity NPC206525
0.8414 Intermediate Similarity NPC170328
0.8414 Intermediate Similarity NPC472648
0.8414 Intermediate Similarity NPC472649
0.8414 Intermediate Similarity NPC191462
0.84 Intermediate Similarity NPC317053
0.84 Intermediate Similarity NPC324492
0.8392 Intermediate Similarity NPC469611
0.8389 Intermediate Similarity NPC475492
0.8369 Intermediate Similarity NPC39064
0.8369 Intermediate Similarity NPC47283
0.8357 Intermediate Similarity NPC471215
0.8357 Intermediate Similarity NPC262573
0.8355 Intermediate Similarity NPC321657
0.8355 Intermediate Similarity NPC318373
0.8355 Intermediate Similarity NPC476969
0.8344 Intermediate Similarity NPC294558
0.8344 Intermediate Similarity NPC82917
0.8344 Intermediate Similarity NPC262911
0.8344 Intermediate Similarity NPC263940
0.8344 Intermediate Similarity NPC18185
0.8344 Intermediate Similarity NPC70409
0.8344 Intermediate Similarity NPC204770
0.8344 Intermediate Similarity NPC108811
0.8344 Intermediate Similarity NPC202742
0.8344 Intermediate Similarity NPC170103
0.8344 Intermediate Similarity NPC236202
0.8344 Intermediate Similarity NPC58190
0.8333 Intermediate Similarity NPC166116
0.8333 Intermediate Similarity NPC55463
0.8322 Intermediate Similarity NPC150011
0.8322 Intermediate Similarity NPC164574
0.8322 Intermediate Similarity NPC129784
0.8322 Intermediate Similarity NPC207892
0.8322 Intermediate Similarity NPC118114
0.8322 Intermediate Similarity NPC228369
0.8322 Intermediate Similarity NPC300875
0.8322 Intermediate Similarity NPC196765
0.8322 Intermediate Similarity NPC476166
0.8322 Intermediate Similarity NPC282508
0.8322 Intermediate Similarity NPC17343
0.8322 Intermediate Similarity NPC268917
0.8322 Intermediate Similarity NPC206224
0.8322 Intermediate Similarity NPC129106
0.8322 Intermediate Similarity NPC280653
0.8322 Intermediate Similarity NPC12875
0.8322 Intermediate Similarity NPC236014
0.8312 Intermediate Similarity NPC279406
0.8312 Intermediate Similarity NPC226809
0.8311 Intermediate Similarity NPC178054
0.8302 Intermediate Similarity NPC261896
0.8301 Intermediate Similarity NPC477612
0.8278 Intermediate Similarity NPC96576
0.8276 Intermediate Similarity NPC115335
0.8276 Intermediate Similarity NPC97834
0.8276 Intermediate Similarity NPC225696
0.8276 Intermediate Similarity NPC198154
0.8276 Intermediate Similarity NPC296915
0.8276 Intermediate Similarity NPC223008
0.8267 Intermediate Similarity NPC114119
0.8267 Intermediate Similarity NPC28440
0.8267 Intermediate Similarity NPC471415
0.8267 Intermediate Similarity NPC470097
0.8267 Intermediate Similarity NPC171932
0.8264 Intermediate Similarity NPC13005
0.8258 Intermediate Similarity NPC224161
0.8252 Intermediate Similarity NPC27187
0.8252 Intermediate Similarity NPC470225
0.8243 Intermediate Similarity NPC472092
0.8243 Intermediate Similarity NPC472091
0.8243 Intermediate Similarity NPC262189
0.8243 Intermediate Similarity NPC472090
0.8243 Intermediate Similarity NPC22317
0.8235 Intermediate Similarity NPC211561
0.8231 Intermediate Similarity NPC474687
0.8227 Intermediate Similarity NPC26879
0.8227 Intermediate Similarity NPC283049
0.8227 Intermediate Similarity NPC50315
0.8227 Intermediate Similarity NPC230479
0.8224 Intermediate Similarity NPC174251
0.8224 Intermediate Similarity NPC153182
0.8212 Intermediate Similarity NPC181615
0.8205 Intermediate Similarity NPC46335
0.8194 Intermediate Similarity NPC271945
0.8194 Intermediate Similarity NPC162801
0.8194 Intermediate Similarity NPC181497
0.8194 Intermediate Similarity NPC472590
0.8176 Intermediate Similarity NPC55947
0.817 Intermediate Similarity NPC281549
0.8163 Intermediate Similarity NPC234952
0.8163 Intermediate Similarity NPC3049
0.8158 Intermediate Similarity NPC274454
0.8158 Intermediate Similarity NPC155564
0.8158 Intermediate Similarity NPC260397
0.8158 Intermediate Similarity NPC248053
0.8158 Intermediate Similarity NPC102280
0.8158 Intermediate Similarity NPC215678
0.8151 Intermediate Similarity NPC256307
0.8151 Intermediate Similarity NPC66840
0.8143 Intermediate Similarity NPC76465
0.8143 Intermediate Similarity NPC38761
0.8133 Intermediate Similarity NPC277784
0.8133 Intermediate Similarity NPC472087
0.8133 Intermediate Similarity NPC472088
0.8129 Intermediate Similarity NPC54972
0.8129 Intermediate Similarity NPC471403
0.8129 Intermediate Similarity NPC193364
0.8121 Intermediate Similarity NPC55793
0.8121 Intermediate Similarity NPC27495
0.8121 Intermediate Similarity NPC309124
0.8121 Intermediate Similarity NPC184797
0.8117 Intermediate Similarity NPC295573
0.8117 Intermediate Similarity NPC470208
0.8112 Intermediate Similarity NPC53986
0.8112 Intermediate Similarity NPC38664
0.8108 Intermediate Similarity NPC474390
0.8108 Intermediate Similarity NPC94994
0.8105 Intermediate Similarity NPC262297
0.8099 Intermediate Similarity NPC170485
0.8085 Intermediate Similarity NPC294156

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71686 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
0.85 High Similarity NPD4908 Phase 1
0.838 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD1610 Phase 2
0.7917 Intermediate Similarity NPD2861 Phase 2
0.7842 Intermediate Similarity NPD1548 Phase 1
0.7808 Intermediate Similarity NPD4625 Phase 3
0.777 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1613 Approved
0.7639 Intermediate Similarity NPD4749 Approved
0.7619 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD6959 Discontinued
0.7551 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD7212 Phase 2
0.7516 Intermediate Similarity NPD7213 Phase 3
0.7485 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD7199 Phase 2
0.7468 Intermediate Similarity NPD7447 Phase 1
0.7455 Intermediate Similarity NPD6234 Discontinued
0.745 Intermediate Similarity NPD3027 Phase 3
0.7439 Intermediate Similarity NPD4965 Approved
0.7439 Intermediate Similarity NPD4966 Approved
0.7439 Intermediate Similarity NPD4967 Phase 2
0.7436 Intermediate Similarity NPD3892 Phase 2
0.7419 Intermediate Similarity NPD7037 Approved
0.7381 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7228 Approved
0.7333 Intermediate Similarity NPD7768 Phase 2
0.7325 Intermediate Similarity NPD7466 Approved
0.7325 Intermediate Similarity NPD3750 Approved
0.7303 Intermediate Similarity NPD4060 Phase 1
0.7279 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD37 Approved
0.7255 Intermediate Similarity NPD5735 Approved
0.7248 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7229 Phase 3
0.7212 Intermediate Similarity NPD7819 Suspended
0.7186 Intermediate Similarity NPD3749 Approved
0.7179 Intermediate Similarity NPD6100 Approved
0.7179 Intermediate Similarity NPD6099 Approved
0.7171 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD5327 Phase 3
0.7143 Intermediate Similarity NPD5124 Phase 1
0.7143 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6166 Phase 2
0.7135 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6584 Phase 3
0.7126 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD8455 Phase 2
0.7097 Intermediate Similarity NPD6353 Approved
0.7089 Intermediate Similarity NPD1549 Phase 2
0.7081 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7041 Phase 2
0.7078 Intermediate Similarity NPD4140 Approved
0.7062 Intermediate Similarity NPD8053 Approved
0.7062 Intermediate Similarity NPD8054 Approved
0.7037 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD422 Phase 1
0.7011 Intermediate Similarity NPD5844 Phase 1
0.7006 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD8312 Approved
0.7006 Intermediate Similarity NPD3748 Approved
0.7006 Intermediate Similarity NPD8313 Approved
0.7 Intermediate Similarity NPD6696 Suspended
0.6989 Remote Similarity NPD7240 Approved
0.6988 Remote Similarity NPD7411 Suspended
0.6987 Remote Similarity NPD4097 Suspended
0.6974 Remote Similarity NPD3018 Phase 2
0.697 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6948 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6946 Remote Similarity NPD1934 Approved
0.6937 Remote Similarity NPD6674 Discontinued
0.6933 Remote Similarity NPD6582 Phase 2
0.6933 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6583 Phase 3
0.6928 Remote Similarity NPD4380 Phase 2
0.6919 Remote Similarity NPD3787 Discontinued
0.6918 Remote Similarity NPD5762 Approved
0.6918 Remote Similarity NPD5763 Approved
0.6915 Remote Similarity NPD7680 Approved
0.6914 Remote Similarity NPD8156 Discontinued
0.6899 Remote Similarity NPD1510 Phase 2
0.6897 Remote Similarity NPD6671 Approved
0.6894 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6887 Remote Similarity NPD8651 Approved
0.6882 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2157 Approved
0.6875 Remote Similarity NPD970 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7390 Discontinued
0.6867 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6859 Remote Similarity NPD2238 Phase 2
0.6859 Remote Similarity NPD3620 Phase 2
0.6859 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6857 Remote Similarity NPD8251 Approved
0.6857 Remote Similarity NPD8252 Approved
0.6857 Remote Similarity NPD8099 Discontinued
0.6857 Remote Similarity NPD3818 Discontinued
0.6855 Remote Similarity NPD2796 Approved
0.6854 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6798 Discontinued
0.6835 Remote Similarity NPD7097 Phase 1
0.6835 Remote Similarity NPD7119 Phase 2
0.6831 Remote Similarity NPD4750 Phase 3
0.6829 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3882 Suspended
0.6821 Remote Similarity NPD6232 Discontinued
0.6821 Remote Similarity NPD2982 Phase 2
0.6821 Remote Similarity NPD2983 Phase 2
0.6815 Remote Similarity NPD6355 Discontinued
0.6807 Remote Similarity NPD1653 Approved
0.6806 Remote Similarity NPD7843 Approved
0.6802 Remote Similarity NPD5494 Approved
0.68 Remote Similarity NPD7473 Discontinued
0.68 Remote Similarity NPD1091 Approved
0.6798 Remote Similarity NPD6559 Discontinued
0.6797 Remote Similarity NPD4624 Approved
0.6792 Remote Similarity NPD7033 Discontinued
0.6792 Remote Similarity NPD5588 Approved
0.679 Remote Similarity NPD7003 Approved
0.6788 Remote Similarity NPD6273 Approved
0.6786 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6784 Remote Similarity NPD7075 Discontinued
0.6781 Remote Similarity NPD7157 Approved
0.678 Remote Similarity NPD7074 Phase 3
0.6779 Remote Similarity NPD5846 Approved
0.6779 Remote Similarity NPD6516 Phase 2
0.6768 Remote Similarity NPD1511 Approved
0.676 Remote Similarity NPD7549 Discontinued
0.6759 Remote Similarity NPD5283 Phase 1
0.6757 Remote Similarity NPD3091 Approved
0.6755 Remote Similarity NPD2981 Phase 2
0.6755 Remote Similarity NPD1840 Phase 2
0.6753 Remote Similarity NPD1712 Approved
0.6739 Remote Similarity NPD1242 Phase 1
0.6738 Remote Similarity NPD968 Approved
0.6732 Remote Similarity NPD3094 Phase 2
0.6732 Remote Similarity NPD2797 Approved
0.6731 Remote Similarity NPD3764 Approved
0.6728 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6727 Remote Similarity NPD2533 Approved
0.6727 Remote Similarity NPD7019 Approved
0.6727 Remote Similarity NPD2534 Approved
0.6727 Remote Similarity NPD7020 Approved
0.6727 Remote Similarity NPD2532 Approved
0.6723 Remote Similarity NPD7054 Approved
0.6723 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6002 Phase 3
0.6708 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6004 Phase 3
0.6708 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6005 Phase 3
0.6708 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6706 Remote Similarity NPD2801 Approved
0.6706 Remote Similarity NPD1465 Phase 2
0.6691 Remote Similarity NPD846 Approved
0.6691 Remote Similarity NPD940 Approved
0.669 Remote Similarity NPD5535 Approved
0.6689 Remote Similarity NPD3092 Approved
0.6689 Remote Similarity NPD3705 Approved
0.6687 Remote Similarity NPD1512 Approved
0.6685 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD4626 Approved
0.6667 Remote Similarity NPD7095 Approved
0.6667 Remote Similarity NPD5402 Approved
0.6667 Remote Similarity NPD7906 Approved
0.6667 Remote Similarity NPD8127 Discontinued
0.6667 Remote Similarity NPD3751 Discontinued
0.6667 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3225 Approved
0.6667 Remote Similarity NPD7808 Phase 3
0.6648 Remote Similarity NPD6797 Phase 2
0.6648 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5403 Approved
0.6646 Remote Similarity NPD2677 Approved
0.6646 Remote Similarity NPD1240 Approved
0.6646 Remote Similarity NPD1551 Phase 2
0.6646 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2231 Phase 2
0.6645 Remote Similarity NPD2235 Phase 2
0.6645 Remote Similarity NPD1608 Approved
0.6644 Remote Similarity NPD7741 Discontinued
0.6643 Remote Similarity NPD2684 Approved
0.663 Remote Similarity NPD4577 Approved
0.663 Remote Similarity NPD4578 Approved
0.663 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6629 Remote Similarity NPD3051 Approved
0.6626 Remote Similarity NPD1652 Phase 2
0.6625 Remote Similarity NPD4536 Approved
0.6625 Remote Similarity NPD4538 Approved
0.6625 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6624 Remote Similarity NPD3268 Approved
0.6623 Remote Similarity NPD4339 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   196402
ChEMBL   CHEMBL443463
ZINC  

Physicochemical Properties

Molecular Weight:  678.19
ALogP:  -3.768
MLogP:  5.09
XLogP:  5.784
# Rotatable Bonds:  9
Polar Surface Area:  149.07
# H-Bond Aceptor:  0
# H-Bond Donor:  6
# Rings:  10
# Heavy Atoms:  51

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Structure MOL file  
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Biological Activities  
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