Natural Product: NPC125579

Natural Product ID:  NPC125579
Common Name:   Resveratrol (E)-Dehydrodimer
IUPAC Name:   5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
Synonyms:   Resveratrol (E)-Dehydrodimer; Resveratrol Trans-Dehydrodimer
Molecular Formula:   C28H22O6
Standard InCHIKey:  LILPTCHQLRKZNG-LPGNHZEISA-N
Standard InCHI:  InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1
Canonical SMILES:  Oc1cc(O)cc(c1)[C@H]1c2cc(/C=C/c3cc(O)cc(c3)O)ccc2O[C@@H]1c1ccc(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
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota UNPD*
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota UNPD*
NPO21724 Sabina sargentii NA NA NA UNPD*
NPO15227 Helipterum roseum Species Asteraceae Eukaryota UNPD*
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota UNPD*
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota UNPD*
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota UNPD*
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota UNPD*
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota UNPD*
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota UNPD*
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota UNPD*
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria UNPD*
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota UNPD*
NPO15063 Leathesia nana Species Chordariaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota UNPD*
NPO7562 Premna odorata Species Lamiaceae Eukaryota UNPD*
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota UNPD*
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota UNPD*
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota UNPD*
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota UNPD*
NPO14859 Bishovia boliviensis NA NA NA UNPD*
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota UNPD*
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota UNPD*
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota UNPD*
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota UNPD*
NPO17633 Viguiera incana Species Asteraceae Eukaryota UNPD*
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota UNPD*
NPO15803 Artemisia assoana Species Asteraceae Eukaryota UNPD*
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota UNPD*
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota UNPD*
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota UNPD*
NPO13847 Streptomyces avermitilis Species Streptomycetaceae Bacteria UNPD*
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota UNPD*
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota UNPD*
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota UNPD*
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota UNPD*
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria UNPD*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota UNPD*
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota UNPD*
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota UNPD*
NPO10989 Annona cornifolia Species Annonaceae Eukaryota UNPD*
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota UNPD*
NPO11641 Solanum laxum Species Solanaceae Eukaryota UNPD*
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota UNPD*
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota UNPD*
NPO15552 Anacystis montana NA NA NA UNPD*
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota UNPD*
NPO17544 Acacia adunca Species Fabaceae Eukaryota UNPD*
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota UNPD*
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 49000 nM 10650073
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 26000 nM 10650073
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 4300 nM 11170689
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 3700 nM 11170689

  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 NPC125579 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 NPC11727
0.9692 High Similarity NPC15109
0.9618 High Similarity NPC141717
0.9403 High Similarity NPC174787
0.9403 High Similarity NPC213607
0.9403 High Similarity NPC182509
0.9323 High Similarity NPC471522
0.9275 High Similarity NPC14468
0.9254 High Similarity NPC470307
0.9254 High Similarity NPC470308
0.9237 High Similarity NPC280653
0.9237 High Similarity NPC300875
0.9237 High Similarity NPC236014
0.9237 High Similarity NPC12875
0.9237 High Similarity NPC17343
0.9237 High Similarity NPC164574
0.9237 High Similarity NPC150011
0.9237 High Similarity NPC129784
0.9237 High Similarity NPC476166
0.9237 High Similarity NPC129106
0.9237 High Similarity NPC268917
0.9237 High Similarity NPC196765
0.9237 High Similarity NPC207892
0.9237 High Similarity NPC118114
0.9237 High Similarity NPC206224
0.9237 High Similarity NPC228369
0.9209 High Similarity NPC133209
0.9209 High Similarity NPC6702
0.9209 High Similarity NPC112819
0.9209 High Similarity NPC111134
0.9197 High Similarity NPC173203
0.9197 High Similarity NPC163508
0.9173 High Similarity NPC473107
0.9173 High Similarity NPC225696
0.9173 High Similarity NPC223008
0.9173 High Similarity NPC476617
0.9173 High Similarity NPC198154
0.9173 High Similarity NPC97834
0.9173 High Similarity NPC115335
0.9173 High Similarity NPC476615
0.9173 High Similarity NPC476616
0.9173 High Similarity NPC296915
0.9167 High Similarity NPC13005
0.916 High Similarity NPC27187
0.916 High Similarity NPC470225
0.916 High Similarity NPC254000
0.9143 High Similarity NPC20757
0.9143 High Similarity NPC227516
0.913 High Similarity NPC304894
0.913 High Similarity NPC15659
0.9091 High Similarity NPC181497
0.9091 High Similarity NPC271945
0.9084 High Similarity NPC471518
0.9084 High Similarity NPC471519
0.9078 High Similarity NPC148516
0.9078 High Similarity NPC122980
0.9078 High Similarity NPC177172
0.9078 High Similarity NPC107862
0.9078 High Similarity NPC180605
0.9065 High Similarity NPC149633
0.9051 High Similarity NPC277331
0.9051 High Similarity NPC100482
0.9014 High Similarity NPC218801
0.9008 High Similarity NPC47283
0.9008 High Similarity NPC39064
0.9008 High Similarity NPC53986
0.9008 High Similarity NPC38664
0.9 High Similarity NPC471215
0.9 High Similarity NPC176804
0.9 High Similarity NPC71686
0.9 High Similarity NPC262573
0.8955 High Similarity NPC85435
0.8951 High Similarity NPC105073
0.8951 High Similarity NPC224528
0.8951 High Similarity NPC233886
0.8951 High Similarity NPC157081
0.8947 High Similarity NPC211413
0.8947 High Similarity NPC473309
0.8947 High Similarity NPC282508
0.8947 High Similarity NPC68205
0.8947 High Similarity NPC293203
0.8947 High Similarity NPC118683
0.8947 High Similarity NPC244888
0.8947 High Similarity NPC471517
0.8947 High Similarity NPC164804
0.8939 High Similarity NPC93962
0.8936 High Similarity NPC170103
0.8936 High Similarity NPC204770
0.8936 High Similarity NPC224921
0.8936 High Similarity NPC236202
0.8936 High Similarity NPC263940
0.8936 High Similarity NPC58190
0.8936 High Similarity NPC202742
0.8936 High Similarity NPC231712
0.8936 High Similarity NPC108811
0.8936 High Similarity NPC82917
0.8936 High Similarity NPC237546
0.8936 High Similarity NPC242774
0.8936 High Similarity NPC18185
0.8936 High Similarity NPC262911
0.8936 High Similarity NPC294558
0.8936 High Similarity NPC70409
0.8923 High Similarity NPC188022
0.8923 High Similarity NPC102540
0.8923 High Similarity NPC17809
0.8923 High Similarity NPC285040
0.8923 High Similarity NPC103420
0.8905 High Similarity NPC475836
0.8897 High Similarity NPC18189
0.8897 High Similarity NPC20829
0.8897 High Similarity NPC262585
0.8889 High Similarity NPC473018
0.8889 High Similarity NPC120633
0.8889 High Similarity NPC59692
0.8889 High Similarity NPC117048
0.8889 High Similarity NPC124085
0.8873 High Similarity NPC329836
0.8865 High Similarity NPC260397
0.8865 High Similarity NPC96576
0.8864 High Similarity NPC274717
0.8857 High Similarity NPC475492
0.8855 High Similarity NPC26879
0.8855 High Similarity NPC50315
0.8855 High Similarity NPC230479
0.8855 High Similarity NPC276212
0.8855 High Similarity NPC283049
0.8846 High Similarity NPC197351
0.8846 High Similarity NPC134195
0.8846 High Similarity NPC86502
0.8846 High Similarity NPC246648
0.8846 High Similarity NPC106914
0.8841 High Similarity NPC22317
0.8841 High Similarity NPC20520
0.8841 High Similarity NPC61783
0.8837 High Similarity NPC150026
0.8832 High Similarity NPC474687
0.8832 High Similarity NPC477938
0.8824 High Similarity NPC258780
0.8824 High Similarity NPC37410
0.8815 High Similarity NPC469610
0.8815 High Similarity NPC77196
0.8811 High Similarity NPC211561
0.8806 High Similarity NPC237424
0.8806 High Similarity NPC472590
0.8806 High Similarity NPC238168
0.8806 High Similarity NPC8899
0.8806 High Similarity NPC162801
0.8797 High Similarity NPC134360
0.8794 High Similarity NPC469557
0.8794 High Similarity NPC181615
0.8788 High Similarity NPC149796
0.8779 High Similarity NPC81641
0.8779 High Similarity NPC113495
0.8777 High Similarity NPC178054
0.8777 High Similarity NPC5155
0.8777 High Similarity NPC263261
0.8777 High Similarity NPC87725
0.8769 High Similarity NPC38761
0.8769 High Similarity NPC76465
0.8767 High Similarity NPC157333
0.876 High Similarity NPC193364
0.876 High Similarity NPC54972
0.876 High Similarity NPC476633
0.8759 High Similarity NPC476391
0.8759 High Similarity NPC170328
0.8759 High Similarity NPC472647
0.8759 High Similarity NPC191462
0.8759 High Similarity NPC472648
0.8759 High Similarity NPC3049
0.8759 High Similarity NPC472649
0.8759 High Similarity NPC133463
0.8759 High Similarity NPC206525
0.875 High Similarity NPC66840
0.875 High Similarity NPC256307
0.875 High Similarity NPC477612
0.8741 High Similarity NPC469611
0.8732 High Similarity NPC102280
0.8732 High Similarity NPC248053
0.8732 High Similarity NPC155564
0.8723 High Similarity NPC12641
0.8723 High Similarity NPC93323
0.8723 High Similarity NPC45257
0.8723 High Similarity NPC280092
0.8707 High Similarity NPC202104
0.8705 High Similarity NPC27495
0.8705 High Similarity NPC309124
0.8705 High Similarity NPC184797
0.8702 High Similarity NPC256015
0.8702 High Similarity NPC294156
0.8696 High Similarity NPC71465
0.8696 High Similarity NPC474390
0.8696 High Similarity NPC472646
0.8692 High Similarity NPC36016
0.8692 High Similarity NPC100099
0.869 High Similarity NPC321972
0.869 High Similarity NPC324517
0.869 High Similarity NPC329343
0.8686 High Similarity NPC473413
0.8676 High Similarity NPC92805
0.8671 High Similarity NPC16269

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC125579 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
0.9308 High Similarity NPD4907 Clinical (unspecified phase)
0.9154 High Similarity NPD4908 Phase 1
0.876 High Similarity NPD1610 Phase 2
0.8507 High Similarity NPD2861 Phase 2
0.845 Intermediate Similarity NPD1548 Phase 1
0.8382 Intermediate Similarity NPD4625 Phase 3
0.8333 Intermediate Similarity NPD1613 Approved
0.8333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8209 Intermediate Similarity NPD4749 Approved
0.8188 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8102 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD3027 Phase 3
0.7974 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD7768 Phase 2
0.7905 Intermediate Similarity NPD7212 Phase 2
0.7905 Intermediate Similarity NPD7213 Phase 3
0.7887 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD5124 Phase 1
0.7852 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD7447 Phase 1
0.7834 Intermediate Similarity NPD6959 Discontinued
0.7823 Intermediate Similarity NPD7466 Approved
0.7817 Intermediate Similarity NPD4060 Phase 1
0.781 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD7037 Approved
0.777 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD3892 Phase 2
0.7677 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD7229 Phase 3
0.7643 Intermediate Similarity NPD6584 Phase 3
0.7619 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD3750 Approved
0.758 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD1549 Phase 2
0.7554 Intermediate Similarity NPD5327 Phase 3
0.7551 Intermediate Similarity NPD6100 Approved
0.7551 Intermediate Similarity NPD6099 Approved
0.755 Intermediate Similarity NPD7041 Phase 2
0.755 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD7411 Suspended
0.7536 Intermediate Similarity NPD422 Phase 1
0.7517 Intermediate Similarity NPD5735 Approved
0.75 Intermediate Similarity NPD8651 Approved
0.75 Intermediate Similarity NPD7199 Phase 2
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD6696 Suspended
0.7484 Intermediate Similarity NPD4380 Phase 2
0.7484 Intermediate Similarity NPD6234 Discontinued
0.7483 Intermediate Similarity NPD5588 Approved
0.7468 Intermediate Similarity NPD4965 Approved
0.7468 Intermediate Similarity NPD4966 Approved
0.7468 Intermediate Similarity NPD4967 Phase 2
0.7467 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD4097 Suspended
0.7452 Intermediate Similarity NPD8455 Phase 2
0.7452 Intermediate Similarity NPD7819 Suspended
0.7448 Intermediate Similarity NPD4140 Approved
0.7439 Intermediate Similarity NPD5844 Phase 1
0.7438 Intermediate Similarity NPD5494 Approved
0.7436 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6583 Phase 3
0.7429 Intermediate Similarity NPD6582 Phase 2
0.7421 Intermediate Similarity NPD3749 Approved
0.7419 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6671 Approved
0.7407 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD6674 Discontinued
0.74 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD1934 Approved
0.7365 Intermediate Similarity NPD1510 Phase 2
0.7362 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD6166 Phase 2
0.7362 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD4750 Phase 3
0.7347 Intermediate Similarity NPD6353 Approved
0.7343 Intermediate Similarity NPD3018 Phase 2
0.7315 Intermediate Similarity NPD2796 Approved
0.7312 Intermediate Similarity NPD7075 Discontinued
0.731 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD6798 Discontinued
0.7305 Intermediate Similarity NPD6559 Discontinued
0.7297 Intermediate Similarity NPD4536 Approved
0.7297 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD4538 Approved
0.7286 Intermediate Similarity NPD1091 Approved
0.7279 Intermediate Similarity NPD6355 Discontinued
0.7273 Intermediate Similarity NPD7228 Approved
0.7267 Intermediate Similarity NPD6004 Phase 3
0.7267 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5762 Approved
0.7267 Intermediate Similarity NPD6002 Phase 3
0.7267 Intermediate Similarity NPD6005 Phase 3
0.7267 Intermediate Similarity NPD5763 Approved
0.7267 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5846 Approved
0.7266 Intermediate Similarity NPD6516 Phase 2
0.7266 Intermediate Similarity NPD1242 Phase 1
0.7259 Intermediate Similarity NPD5283 Phase 1
0.7255 Intermediate Similarity NPD5058 Phase 3
0.7252 Intermediate Similarity NPD968 Approved
0.725 Intermediate Similarity NPD3882 Suspended
0.7248 Intermediate Similarity NPD7033 Discontinued
0.7248 Intermediate Similarity NPD5960 Phase 3
0.7248 Intermediate Similarity NPD3748 Approved
0.7246 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD2157 Approved
0.7211 Intermediate Similarity NPD2238 Phase 2
0.7211 Intermediate Similarity NPD3620 Phase 2
0.7211 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD846 Approved
0.7209 Intermediate Similarity NPD940 Approved
0.7208 Intermediate Similarity NPD1511 Approved
0.7205 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD2797 Approved
0.7185 Intermediate Similarity NPD5535 Approved
0.7183 Intermediate Similarity NPD2982 Phase 2
0.7183 Intermediate Similarity NPD2983 Phase 2
0.7181 Intermediate Similarity NPD7119 Phase 2
0.7181 Intermediate Similarity NPD7097 Phase 1
0.7169 Intermediate Similarity NPD3818 Discontinued
0.7161 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7020 Approved
0.7161 Intermediate Similarity NPD2532 Approved
0.7161 Intermediate Similarity NPD7019 Approved
0.7161 Intermediate Similarity NPD2534 Approved
0.7161 Intermediate Similarity NPD2533 Approved
0.7153 Intermediate Similarity NPD7157 Approved
0.7153 Intermediate Similarity NPD4624 Approved
0.7143 Intermediate Similarity NPD4626 Approved
0.7143 Intermediate Similarity NPD2684 Approved
0.7143 Intermediate Similarity NPD6667 Approved
0.7143 Intermediate Similarity NPD6666 Approved
0.7134 Intermediate Similarity NPD6232 Discontinued
0.7134 Intermediate Similarity NPD1653 Approved
0.7133 Intermediate Similarity NPD3225 Approved
0.7125 Intermediate Similarity NPD2801 Approved
0.7124 Intermediate Similarity NPD6331 Phase 2
0.7123 Intermediate Similarity NPD7095 Approved
0.7122 Intermediate Similarity NPD7741 Discontinued
0.7122 Intermediate Similarity NPD3091 Approved
0.7115 Intermediate Similarity NPD1512 Approved
0.7115 Intermediate Similarity NPD6273 Approved
0.7113 Intermediate Similarity NPD2235 Phase 2
0.7113 Intermediate Similarity NPD1608 Approved
0.7113 Intermediate Similarity NPD2981 Phase 2
0.7113 Intermediate Similarity NPD2231 Phase 2
0.7108 Intermediate Similarity NPD7473 Discontinued
0.7105 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1240 Approved
0.7095 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD5451 Approved
0.7089 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1551 Phase 2
0.7086 Intermediate Similarity NPD2935 Discontinued
0.7083 Intermediate Similarity NPD3094 Phase 2
0.7076 Intermediate Similarity NPD8054 Approved
0.7076 Intermediate Similarity NPD8053 Approved
0.7075 Intermediate Similarity NPD3268 Approved
0.7071 Intermediate Similarity NPD5691 Approved
0.7068 Intermediate Similarity NPD290 Approved
0.7068 Intermediate Similarity NPD2342 Discontinued
0.7063 Intermediate Similarity NPD6801 Discontinued
0.7059 Intermediate Similarity NPD7843 Approved
0.7059 Intermediate Similarity NPD2800 Approved
0.7059 Intermediate Similarity NPD7549 Discontinued
0.7059 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1652 Phase 2
0.7054 Intermediate Similarity NPD3020 Approved
0.7051 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3092 Approved
0.7039 Intermediate Similarity NPD7030 Discontinued
0.7037 Intermediate Similarity NPD7773 Phase 2
0.7034 Intermediate Similarity NPD3690 Phase 2
0.7034 Intermediate Similarity NPD3691 Phase 2
0.703 Intermediate Similarity NPD3787 Discontinued
0.7027 Intermediate Similarity NPD6233 Phase 2
0.7024 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD3846 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD4108 Discontinued
0.7019 Intermediate Similarity NPD7046 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD8312 Approved
0.7018 Intermediate Similarity NPD8313 Approved
0.7013 Intermediate Similarity NPD7003 Approved
0.7 Intermediate Similarity NPD1182 Approved
0.7 Intermediate Similarity NPD1607 Approved
0.7 Intermediate Similarity NPD6072 Discontinued
0.7 Intermediate Similarity NPD6580 Approved
0.7 Intermediate Similarity NPD6581 Approved
0.6993 Remote Similarity NPD1840 Phase 2
0.6993 Remote Similarity NPD2424 Discontinued
0.6987 Remote Similarity NPD7390 Discontinued
0.6987 Remote Similarity NPD6143 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10095474
ChEMBL   CHEMBL518935
ZINC  

Physicochemical Properties

Molecular Weight:  454.14
ALogP:  -2.1691
MLogP:  3.88
XLogP:  5.364
# Rotatable Bonds:  9
Polar Surface Area:  110.38
# H-Bond Aceptor:  0
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  34

Download Data

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