Natural Product: NPC82016

Natural Product ID:  NPC82016
Common Name:   Trismethoxyresveratrol
IUPAC Name:   1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Synonyms:   (E)-3,5,4'-Trimethoxystilbene; (E)-3,5,40-Trimethoxystilbene; 3,5,4'-Trimethoxystilbene; 8E-3,4',5-Trimethoxystilbene; Trans-3,4',5-Trimethoxystilbene; Trismethoxyresveratrol
Molecular Formula:   C17H18O3
Standard InCHIKey:  GDHNBPHYVRHYCC-SNAWJCMRSA-N
Standard InCHI:  InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
Canonical SMILES:  COc1ccc(cc1)/C=C/c1cc(OC)cc(c1)OC
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
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]
NPO20213 Virola cuspidata Species Myristicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 = 7.5 nM 1613753
NPT83 Cell Line MCF7 Homo sapiens ED50 = 9.7 nM 1613753
NPT139 Cell Line HT-29 Homo sapiens ED50 = 6.9 nM 1613753
NPT373 Cell Line SK-MEL-5 Homo sapiens ED50 = 8.8 nM 1613753
NPT3958 Cell Line MLM ED50 > 0.025 nM 1613753
NPT875 Organism Bos taurus Bos taurus IC50 > 40000 nM 1613753
NPT32 Organism Mus musculus Mus musculus IC50 = 22000 nM 10714491
NPT168 Cell Line P388 Mus musculus ED50 = 2.77 ug/ml 12036362
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 0.35 ug/ml 12036362
NPT395 Cell Line SF-268 Homo sapiens GI50 = 5.6 ug/ml 12036362
NPT2 Others Unspecified GI50 = 0.62 ug/ml 12036362
NPT90 Cell Line DU-145 Homo sapiens GI50 = 1.5 ug/ml 12036362
NPT1603 Individual Protein Cytochrome P450 1A1 Homo sapiens IC50 = 830 nM 11754588
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 6200 nM 11754588
NPT1604 Individual Protein Cytochrome P450 1B1 Homo sapiens IC50 = 790 nM 11754588
NPT2 Others Unspecified Ratio = 1.1 11754588
NPT2 Others Unspecified Ratio = 7.9 11754588
NPT3959 Individual Protein Aryl hydrocarbon receptor Oryctolagus cuniculus Ki = 7.7 nM 15634023
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Ki = 261 nM 15634023
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 1200 nM 16250636
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2500 nM 16686543
NPT116 Cell Line HL-60 Homo sapiens AC50 = 4000 nM 16686543
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 8000 nM 16686543
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens AC50 = 50000 nM 16686543
NPT3960 Individual Protein Bcr/Abl fusion protein Homo sapiens IC50 = 10000 nM 16686543
NPT3960 Individual Protein Bcr/Abl fusion protein Homo sapiens AC50 = 25000 nM 16686543
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2500 nM 16580204
NPT116 Cell Line HL-60 Homo sapiens AC50 = 4000 nM 16580204
NPT91 Cell Line KB Homo sapiens IC50 = 10300 nM 17000031
NPT2 Others Unspecified Activity = 94 % 17316918
NPT2 Others Unspecified Activity < 0.001 nM 17316918
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 500 ug/ml 15043439
NPT116 Cell Line HL-60 Homo sapiens Activity = 32.23 % 19271734
NPT2 Others Unspecified IC50 = 28300 nM 18487053
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 0.35 ug/ml 19719153
NPT395 Cell Line SF-268 Homo sapiens GI50 = 0.56 ug/ml 19719153
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.62 ug/ml 19719153
NPT90 Cell Line DU-145 Homo sapiens GI50 = 1.5 ug/ml 19719153
NPT660 Cell Line SW480 Homo sapiens IC50 = 54000 nM 20395019
NPT139 Cell Line HT-29 Homo sapiens IC50 = 16100 nM 20627379
NPT492 Cell Line Caco-2 Homo sapiens IC50 = 11950 nM 20627379
NPT32 Organism Mus musculus Mus musculus Activity = 19.5 ug 20627379
NPT139 Cell Line HT-29 Homo sapiens Activity = 0.57 ug 20627379
NPT139 Cell Line HT-29 Homo sapiens Activity = 590.3 mm3 20627379
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 5700 nM 21215623
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1100 nM 21215623
NPT2 Others Unspecified IC50 = 5200 nM 21215623
NPT83 Cell Line MCF7 Homo sapiens Ratio IC50 = 1.9 21215623
NPT2 Others Unspecified Ratio IC50 = 0.4 21215623
NPT71 Cell Line HEK293 Homo sapiens FC = 4 21880495
NPT182 Individual Protein Protein kinase C alpha Homo sapiens Activity = 31.9 % 21880495
NPT182 Individual Protein Protein kinase C alpha Homo sapiens Activity = 20 % 21880495
NPT182 Individual Protein Protein kinase C alpha Homo sapiens EC50 = 1560000 nM 21880495
NPT2 Others Unspecified Ratio = 0.04 22088309
NPT368 Cell Line SN12C Homo sapiens GI50 9954.05 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 7079.46 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 6982.32 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 18238.96 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 8072.35 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 2558.59 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 3539.97 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 4226.69 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 6123.5 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 4325.14 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 6180.16 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 3296.1 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 4508.17 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 4920.4 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 4064.43 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 22080.05 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 14028.14 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 3793.15 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 20749.14 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 4236.43 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 12618.28 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 6309.57 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 4977.37 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 2679.17 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 4168.69 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 8433.35 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 6531.31 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 6486.34 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 3556.31 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 6698.85 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 3147.75 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 6067.36 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 9794.9 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 6324.12 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 4819.48 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 4570.88 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 4168.69 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 7925.01 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 22438.82 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 4140 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 4864.07 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 3499.45 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 3732.5 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 4602.57 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 3564.51 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 4375.22 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 6441.69 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 9660.51 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 4197.59 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 4623.81 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 3981.07 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 5284.45 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 3971.92 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 5432.5 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 3881.5 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 3819.44 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 3054.92 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 3411.93 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 24322.04 nM PubChem BioAssay data set
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Ki = 130016957.8 nM 10.1007/s00044-007-9055-2
NPT111 Cell Line K562 Homo sapiens IC50 = 6390 nM 10.1007/s00044-012-0159-y
NPT2 Others Unspecified IC50 = 4830 nM 10.1007/s00044-012-0159-y
NPT83 Cell Line MCF7 Homo sapiens IC50 = 8410 nM 10.1007/s00044-012-0159-y
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 26700 nM 23547843
NPT857 Cell Line LLC-PK1 Sus scrofa IC50 = 20000 nM 23547843
NPT165 Cell Line HeLa Homo sapiens IC50 = 13300 nM 23547843
NPT916 Cell Line SK-MEL Homo sapiens IC50 = 12200 nM 23547843
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 55500 nM 23547843
NPT457 Cell Line BT-549 Homo sapiens IC50 = 15600 nM 23547843
NPT91 Cell Line KB Homo sapiens IC50 = 17700 nM 23547843
NPT366 Individual Protein Quinone reductase 2 Homo sapiens IC50 = 14600 nM 23953689
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 > 10000 nM 26750258
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus EC50 = 1700 nM 26750258
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus IC50 = 3000 nM 26750258
NPT65 Cell Line HepG2 Homo sapiens Activity = 42 % 26850006
NPT32 Organism Mus musculus Mus musculus Activity = 34 % 26850006
NPT32 Organism Mus musculus Mus musculus Activity = 19 % 26850006
NPT2 Others Unspecified Ratio IC50 = 0.74 26850006
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1667 nM 26850006
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 1228 nM 26850006
NPT2 Others Unspecified Ratio = 0.82 27426305
NPT2 Others Unspecified Ratio = 0.85 27426305
NPT2 Others Unspecified Ratio = 0.31 27426305
NPT2 Others Unspecified Ratio = -0.15 27426305
NPT882 Cell Line Thymocytes Ratio < 5 27426305
NPT882 Cell Line Thymocytes Ratio = 5 27426305

  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 NPC82016 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
0.9802 High Similarity NPC35543
0.9706 High Similarity NPC245115
0.9528 High Similarity NPC180508
0.9528 High Similarity NPC228287
0.9519 High Similarity NPC2682
0.9352 High Similarity NPC123948
0.934 High Similarity NPC280606
0.9266 High Similarity NPC474933
0.9245 High Similarity NPC296920
0.9245 High Similarity NPC90520
0.9174 High Similarity NPC141090
0.9151 High Similarity NPC303521
0.9151 High Similarity NPC94045
0.9099 High Similarity NPC254625
0.9099 High Similarity NPC475961
0.9083 High Similarity NPC53906
0.9065 High Similarity NPC203924
0.9 High Similarity NPC203113
0.8991 High Similarity NPC22610
0.8991 High Similarity NPC276737
0.8938 High Similarity NPC472596
0.8938 High Similarity NPC102639
0.8938 High Similarity NPC166759
0.8929 High Similarity NPC15805
0.8919 High Similarity NPC69261
0.8919 High Similarity NPC195466
0.8919 High Similarity NPC33270
0.8919 High Similarity NPC470759
0.8919 High Similarity NPC127894
0.8919 High Similarity NPC15860
0.8919 High Similarity NPC219070
0.8909 High Similarity NPC464
0.8909 High Similarity NPC185541
0.8899 High Similarity NPC204120
0.8879 High Similarity NPC165386
0.886 High Similarity NPC476633
0.886 High Similarity NPC477886
0.885 High Similarity NPC474565
0.8829 High Similarity NPC150624
0.8829 High Similarity NPC54507
0.8829 High Similarity NPC85292
0.8829 High Similarity NPC229147
0.8829 High Similarity NPC114064
0.8783 High Similarity NPC262253
0.8783 High Similarity NPC473411
0.8783 High Similarity NPC261661
0.8783 High Similarity NPC71579
0.8774 High Similarity NPC164576
0.8761 High Similarity NPC184302
0.8761 High Similarity NPC226629
0.8739 High Similarity NPC167934
0.8739 High Similarity NPC808
0.8716 High Similarity NPC255068
0.8707 High Similarity NPC136319
0.8707 High Similarity NPC282496
0.8707 High Similarity NPC233526
0.8673 High Similarity NPC131118
0.8673 High Similarity NPC190514
0.8632 High Similarity NPC270030
0.8624 High Similarity NPC168657
0.8624 High Similarity NPC106141
0.8596 High Similarity NPC172253
0.8596 High Similarity NPC59561
0.8585 High Similarity NPC474603
0.8585 High Similarity NPC12987
0.8584 High Similarity NPC221549
0.8584 High Similarity NPC304208
0.8584 High Similarity NPC244816
0.8584 High Similarity NPC52464
0.8584 High Similarity NPC50521
0.8559 High Similarity NPC60885
0.8559 High Similarity NPC57490
0.8559 High Similarity NPC82483
0.8559 High Similarity NPC233410
0.8559 High Similarity NPC472093
0.8559 High Similarity NPC116907
0.8559 High Similarity NPC298757
0.8559 High Similarity NPC265483
0.8559 High Similarity NPC113495
0.8559 High Similarity NPC117214
0.8559 High Similarity NPC193544
0.8559 High Similarity NPC475169
0.8559 High Similarity NPC105031
0.8559 High Similarity NPC299584
0.8559 High Similarity NPC105925
0.8559 High Similarity NPC208950
0.8559 High Similarity NPC221077
0.8559 High Similarity NPC234400
0.8559 High Similarity NPC203133
0.8559 High Similarity NPC251855
0.8559 High Similarity NPC17943
0.8534 High Similarity NPC75713
0.8522 High Similarity NPC10932
0.8522 High Similarity NPC232084
0.8522 High Similarity NPC61516
0.8522 High Similarity NPC247364
0.8487 Intermediate Similarity NPC18924
0.8487 Intermediate Similarity NPC244364
0.8487 Intermediate Similarity NPC78974
0.8487 Intermediate Similarity NPC112571
0.8487 Intermediate Similarity NPC223136
0.8487 Intermediate Similarity NPC285725
0.8487 Intermediate Similarity NPC103823
0.8487 Intermediate Similarity NPC170485
0.8487 Intermediate Similarity NPC214406
0.8487 Intermediate Similarity NPC28730
0.8487 Intermediate Similarity NPC50683
0.8487 Intermediate Similarity NPC44748
0.8462 Intermediate Similarity NPC77789
0.8462 Intermediate Similarity NPC18128
0.8462 Intermediate Similarity NPC41562
0.8455 Intermediate Similarity NPC475852
0.8448 Intermediate Similarity NPC199023
0.844 Intermediate Similarity NPC75440
0.8435 Intermediate Similarity NPC308217
0.8421 Intermediate Similarity NPC33271
0.8421 Intermediate Similarity NPC259638
0.8417 Intermediate Similarity NPC324112
0.8417 Intermediate Similarity NPC282000
0.8417 Intermediate Similarity NPC194841
0.8417 Intermediate Similarity NPC124452
0.8417 Intermediate Similarity NPC159968
0.8417 Intermediate Similarity NPC474119
0.8417 Intermediate Similarity NPC293054
0.8417 Intermediate Similarity NPC246620
0.8417 Intermediate Similarity NPC169474
0.8417 Intermediate Similarity NPC82679
0.8417 Intermediate Similarity NPC473221
0.8417 Intermediate Similarity NPC236791
0.8417 Intermediate Similarity NPC242032
0.8417 Intermediate Similarity NPC127587
0.8417 Intermediate Similarity NPC74817
0.8417 Intermediate Similarity NPC210355
0.8411 Intermediate Similarity NPC241224
0.8396 Intermediate Similarity NPC300166
0.839 Intermediate Similarity NPC84086
0.839 Intermediate Similarity NPC197757
0.839 Intermediate Similarity NPC228922
0.839 Intermediate Similarity NPC95168
0.839 Intermediate Similarity NPC474160
0.8362 Intermediate Similarity NPC222175
0.835 Intermediate Similarity NPC471581
0.8348 Intermediate Similarity NPC63083
0.8348 Intermediate Similarity NPC474612
0.8347 Intermediate Similarity NPC474651
0.8347 Intermediate Similarity NPC31707
0.8347 Intermediate Similarity NPC186843
0.8347 Intermediate Similarity NPC98631
0.8347 Intermediate Similarity NPC222127
0.8347 Intermediate Similarity NPC210674
0.8347 Intermediate Similarity NPC206615
0.8347 Intermediate Similarity NPC82862
0.8347 Intermediate Similarity NPC470213
0.8347 Intermediate Similarity NPC474623
0.8333 Intermediate Similarity NPC193067
0.8333 Intermediate Similarity NPC88297
0.8333 Intermediate Similarity NPC186845
0.8333 Intermediate Similarity NPC9891
0.8333 Intermediate Similarity NPC223953
0.8333 Intermediate Similarity NPC76451
0.8333 Intermediate Similarity NPC82299
0.8319 Intermediate Similarity NPC122792
0.8319 Intermediate Similarity NPC206487
0.8319 Intermediate Similarity NPC5796
0.8319 Intermediate Similarity NPC228503
0.8319 Intermediate Similarity NPC294156
0.8319 Intermediate Similarity NPC228972
0.8319 Intermediate Similarity NPC138248
0.8319 Intermediate Similarity NPC256015
0.8317 Intermediate Similarity NPC8002
0.8317 Intermediate Similarity NPC99886
0.8317 Intermediate Similarity NPC259134
0.8317 Intermediate Similarity NPC177844
0.8317 Intermediate Similarity NPC302546
0.8305 Intermediate Similarity NPC36016
0.8305 Intermediate Similarity NPC100099
0.8305 Intermediate Similarity NPC194626
0.8305 Intermediate Similarity NPC74137
0.8305 Intermediate Similarity NPC288238
0.8302 Intermediate Similarity NPC248573
0.8302 Intermediate Similarity NPC275053
0.8302 Intermediate Similarity NPC161571
0.8286 Intermediate Similarity NPC470161
0.8279 Intermediate Similarity NPC190144
0.8279 Intermediate Similarity NPC218856
0.8279 Intermediate Similarity NPC58164
0.8279 Intermediate Similarity NPC226788
0.8279 Intermediate Similarity NPC210623
0.8279 Intermediate Similarity NPC476968
0.8279 Intermediate Similarity NPC285339
0.8279 Intermediate Similarity NPC471519
0.8279 Intermediate Similarity NPC10225
0.8279 Intermediate Similarity NPC170844
0.8279 Intermediate Similarity NPC222004
0.8279 Intermediate Similarity NPC190629
0.8279 Intermediate Similarity NPC273295
0.8279 Intermediate Similarity NPC470258
0.8279 Intermediate Similarity NPC228769
0.8279 Intermediate Similarity NPC471518
0.8279 Intermediate Similarity NPC469951

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC82016 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
0.8783 High Similarity NPD2981 Phase 2
0.8707 High Similarity NPD2983 Phase 2
0.8707 High Similarity NPD2982 Phase 2
0.8417 Intermediate Similarity NPD3018 Phase 2
0.8302 Intermediate Similarity NPD1242 Phase 1
0.8279 Intermediate Similarity NPD3027 Phase 3
0.823 Intermediate Similarity NPD5283 Phase 1
0.819 Intermediate Similarity NPD1548 Phase 1
0.8067 Intermediate Similarity NPD1610 Phase 2
0.8049 Intermediate Similarity NPD4908 Phase 1
0.8036 Intermediate Similarity NPD5451 Approved
0.7949 Intermediate Similarity NPD5536 Phase 2
0.792 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD4625 Phase 3
0.7787 Intermediate Similarity NPD4749 Approved
0.7778 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD3539 Phase 1
0.7768 Intermediate Similarity NPD3134 Approved
0.776 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD3540 Phase 1
0.768 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD5535 Approved
0.7667 Intermediate Similarity NPD1651 Approved
0.7656 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD1613 Approved
0.7632 Intermediate Similarity NPD2684 Approved
0.7623 Intermediate Similarity NPD422 Phase 1
0.7586 Intermediate Similarity NPD228 Approved
0.7568 Intermediate Similarity NPD940 Approved
0.7568 Intermediate Similarity NPD846 Approved
0.7544 Intermediate Similarity NPD1358 Approved
0.754 Intermediate Similarity NPD2861 Phase 2
0.7521 Intermediate Similarity NPD5585 Approved
0.75 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2796 Approved
0.75 Intermediate Similarity NPD2934 Approved
0.75 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2933 Approved
0.7481 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD3705 Approved
0.7459 Intermediate Similarity NPD17 Approved
0.7456 Intermediate Similarity NPD968 Approved
0.7438 Intermediate Similarity NPD1182 Approved
0.7431 Intermediate Similarity NPD2859 Approved
0.7431 Intermediate Similarity NPD2860 Approved
0.7426 Intermediate Similarity NPD7124 Phase 2
0.7417 Intermediate Similarity NPD3596 Phase 2
0.7414 Intermediate Similarity NPD4750 Phase 3
0.7387 Intermediate Similarity NPD3020 Approved
0.7385 Intermediate Similarity NPD1240 Approved
0.7377 Intermediate Similarity NPD5691 Approved
0.7373 Intermediate Similarity NPD7843 Approved
0.7372 Intermediate Similarity NPD4357 Discontinued
0.736 Intermediate Similarity NPD1669 Approved
0.736 Intermediate Similarity NPD5327 Phase 3
0.7348 Intermediate Similarity NPD6111 Discontinued
0.7339 Intermediate Similarity NPD1281 Approved
0.7333 Intermediate Similarity NPD709 Approved
0.7333 Intermediate Similarity NPD6671 Approved
0.7333 Intermediate Similarity NPD7157 Approved
0.7323 Intermediate Similarity NPD6584 Phase 3
0.7317 Intermediate Similarity NPD2667 Approved
0.7317 Intermediate Similarity NPD4626 Approved
0.7317 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD2668 Approved
0.7295 Intermediate Similarity NPD6580 Approved
0.7295 Intermediate Similarity NPD6581 Approved
0.728 Intermediate Similarity NPD1608 Approved
0.7279 Intermediate Similarity NPD7466 Approved
0.7273 Intermediate Similarity NPD1607 Approved
0.7258 Intermediate Similarity NPD3847 Discontinued
0.7252 Intermediate Similarity NPD2238 Phase 2
0.7241 Intermediate Similarity NPD290 Approved
0.7236 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD1357 Approved
0.7227 Intermediate Similarity NPD821 Approved
0.7222 Intermediate Similarity NPD4359 Approved
0.7214 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD2557 Approved
0.7188 Intermediate Similarity NPD4624 Approved
0.7177 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD6516 Phase 2
0.7177 Intermediate Similarity NPD1778 Approved
0.7177 Intermediate Similarity NPD5846 Approved
0.7168 Intermediate Similarity NPD3028 Approved
0.7167 Intermediate Similarity NPD1241 Discontinued
0.7165 Intermediate Similarity NPD2922 Phase 1
0.7165 Intermediate Similarity NPD1283 Approved
0.7164 Intermediate Similarity NPD1510 Phase 2
0.7164 Intermediate Similarity NPD3748 Approved
0.7153 Intermediate Similarity NPD3892 Phase 2
0.7143 Intermediate Similarity NPD2232 Approved
0.7143 Intermediate Similarity NPD3972 Approved
0.7143 Intermediate Similarity NPD2230 Approved
0.7143 Intermediate Similarity NPD2233 Approved
0.7143 Intermediate Similarity NPD1840 Phase 2
0.7122 Intermediate Similarity NPD5297 Approved
0.7119 Intermediate Similarity NPD3021 Approved
0.7119 Intermediate Similarity NPD3022 Approved
0.7113 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6100 Approved
0.7111 Intermediate Similarity NPD6099 Approved
0.7109 Intermediate Similarity NPD3567 Approved
0.7109 Intermediate Similarity NPD3568 Approved
0.7099 Intermediate Similarity NPD5110 Phase 2
0.7099 Intermediate Similarity NPD5109 Approved
0.7099 Intermediate Similarity NPD5111 Phase 2
0.7099 Intermediate Similarity NPD5718 Phase 2
0.7097 Intermediate Similarity NPD3443 Approved
0.7097 Intermediate Similarity NPD3444 Approved
0.7097 Intermediate Similarity NPD3445 Approved
0.7087 Intermediate Similarity NPD6583 Phase 3
0.7087 Intermediate Similarity NPD6582 Phase 2
0.708 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD7447 Phase 1
0.7071 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4675 Approved
0.7063 Intermediate Similarity NPD1091 Approved
0.7063 Intermediate Similarity NPD4678 Approved
0.7054 Intermediate Similarity NPD7905 Discontinued
0.7049 Intermediate Similarity NPD6387 Discontinued
0.7031 Intermediate Similarity NPD1876 Approved
0.7031 Intermediate Similarity NPD8651 Approved
0.7031 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD7095 Approved
0.7021 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD1894 Discontinued
0.7015 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD4097 Suspended
0.7008 Intermediate Similarity NPD2231 Phase 2
0.7008 Intermediate Similarity NPD2235 Phase 2
0.7007 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7212 Phase 2
0.7 Intermediate Similarity NPD6799 Approved
0.7 Intermediate Similarity NPD7213 Phase 3
0.6993 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4005 Discontinued
0.6992 Remote Similarity NPD4060 Phase 1
0.6992 Remote Similarity NPD1558 Phase 1
0.6992 Remote Similarity NPD2979 Phase 3
0.6985 Remote Similarity NPD2935 Discontinued
0.6984 Remote Similarity NPD3496 Discontinued
0.6981 Remote Similarity NPD111 Approved
0.6978 Remote Similarity NPD2219 Phase 1
0.697 Remote Similarity NPD6812 Clinical (unspecified phase)
0.697 Remote Similarity NPD1296 Phase 2
0.6963 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6963 Remote Similarity NPD4536 Approved
0.6963 Remote Similarity NPD2200 Suspended
0.6963 Remote Similarity NPD4538 Approved
0.696 Remote Similarity NPD3049 Approved
0.696 Remote Similarity NPD2595 Approved
0.696 Remote Similarity NPD6382 Discontinued
0.696 Remote Similarity NPD2594 Approved
0.6953 Remote Similarity NPD6539 Approved
0.6953 Remote Similarity NPD2429 Approved
0.6953 Remote Similarity NPD4129 Approved
0.6953 Remote Similarity NPD6540 Phase 3
0.6953 Remote Similarity NPD6543 Approved
0.6953 Remote Similarity NPD6542 Approved
0.6953 Remote Similarity NPD2428 Approved
0.695 Remote Similarity NPD1424 Approved
0.694 Remote Similarity NPD5123 Clinical (unspecified phase)
0.694 Remote Similarity NPD5735 Approved
0.694 Remote Similarity NPD5124 Phase 1
0.6935 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6934 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6934 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1611 Approved
0.6923 Remote Similarity NPD9697 Approved
0.6918 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2801 Approved
0.6918 Remote Similarity NPD7819 Suspended
0.6912 Remote Similarity NPD4108 Discontinued
0.6906 Remote Similarity NPD3750 Approved
0.6905 Remote Similarity NPD2554 Approved
0.6905 Remote Similarity NPD2556 Approved
0.6899 Remote Similarity NPD3225 Approved
0.6899 Remote Similarity NPD6538 Approved
0.6899 Remote Similarity NPD6541 Approved
0.6889 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6884 Remote Similarity NPD1549 Phase 2
0.6881 Remote Similarity NPD9295 Approved
0.688 Remote Similarity NPD2486 Discontinued
0.688 Remote Similarity NPD7534 Approved
0.688 Remote Similarity NPD7533 Approved
0.6879 Remote Similarity NPD1511 Approved
0.6875 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6871 Remote Similarity NPD3817 Phase 2
0.687 Remote Similarity NPD4993 Discontinued
0.687 Remote Similarity NPD2407 Clinical (unspecified phase)
0.6866 Remote Similarity NPD4140 Approved
0.6861 Remote Similarity NPD1551 Phase 2
0.6861 Remote Similarity NPD2438 Suspended
0.686 Remote Similarity NPD1137 Approved

Structure

External Identifiers

PubChem CID   5388063
ChEMBL   CHEMBL296411
ZINC  

Physicochemical Properties

Molecular Weight:  270.13
ALogP:  0.3124
MLogP:  3
XLogP:  4.993
# Rotatable Bonds:  8
Polar Surface Area:  27.69
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  20

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Biological Activities  
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