Natural Product: NPC471459

Natural Product ID:  NPC471459
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H38O5
Standard InCHIKey:  AIWIFJDENQTYMW-PSKSECRFSA-N
Standard InCHI:  InChI=1S/C25H38O5/c1-13(27)20-17(28)10-15-14-6-7-18-23(2,3)8-5-9-25(18,12-26)16(14)11-19-24(15,4)21(20)22(29)30-19/h14-21,26,28H,5-12H2,1-4H3/t14?,15-,16-,17-,18-,19+,20+,21+,24+,25-/m0/s1
Canonical SMILES:  OC[C@@]12CCCC([C@@H]2CCC2[C@@H]1C[C@H]1OC(=O)[C@@H]3[C@@]1([C@H]2C[C@@H]([C@H]3C(=O)C)O)C)(C)C
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
NPO33257 lendenfeldia sp. Species Thorectidae Eukaryota Indonesia PMID[17958396]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 23442.29 nM 19467877
NPT372 Cell Line HOP-92 Homo sapiens LC50 = 100000 nM 19467877
NPT372 Cell Line HOP-92 Homo sapiens TGI = 45708.82 nM 19467877
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 17378.01 nM 19467877
NPT370 Cell Line NCI-H23 Homo sapiens TGI = 72443.6 nM 19467877
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 21379.62 nM 19467877
NPT405 Cell Line NCI-H226 Homo sapiens LC50 = 100000 nM 19467877
NPT405 Cell Line NCI-H226 Homo sapiens TGI = 70794.58 nM 19467877
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 44668.36 nM 19467877
NPT370 Cell Line NCI-H23 Homo sapiens LC50 = 100000 nM 19467877
NPT397 Cell Line NCI-H460 Homo sapiens TGI = 37153.52 nM 12444684
NPT374 Cell Line SF-539 Homo sapiens TGI = 33884.42 nM 26151487
NPT374 Cell Line SF-539 Homo sapiens LC50 = 64565.42 nM 26151487
NPT395 Cell Line SF-268 Homo sapiens LC50 = 100000 nM 26151487
NPT399 Cell Line SF-295 Homo sapiens GI50 = 20892.96 nM 26151487
NPT383 Cell Line SNB-19 Homo sapiens LC50 = 100000 nM 26151487
NPT399 Cell Line SF-295 Homo sapiens TGI = 58884.37 nM 17845001
NPT399 Cell Line SF-295 Homo sapiens LC50 = 100000 nM 17845001
NPT383 Cell Line SNB-19 Homo sapiens TGI = 100000 nM 17845001
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 32359.37 nM 17845001
NPT374 Cell Line SF-539 Homo sapiens GI50 = 17378.01 nM 17845001
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8300 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens IC50 = 6800 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8500 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 = 27542.29 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens TGI = 77624.71 nM DrugMatrix in vivo data: Biochemistry
NPT170 Cell Line SK-MEL-28 Homo sapiens TGI = 32359.37 nM 25435149
NPT147 Cell Line SK-MEL-2 Homo sapiens TGI = 60255.96 nM 25435149
NPT406 Cell Line RXF 393 Homo sapiens TGI = 29512.09 nM 10.1021/np50004a012
NPT406 Cell Line RXF 393 Homo sapiens LC50 = 58884.37 nM 18583139
NPT376 Cell Line A498 Homo sapiens TGI = 79432.82 nM 18991460
NPT376 Cell Line A498 Homo sapiens LC50 = 100000 nM 18991460
NPT401 Cell Line 786-0 Homo sapiens LC50 = 70794.58 nM 18991460
NPT376 Cell Line A498 Homo sapiens GI50 = 24547.09 nM 18991460
NPT369 Cell Line ACHN Homo sapiens LC50 = 61659.5 nM 18991460
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 14791.08 nM 18991460
NPT369 Cell Line ACHN Homo sapiens GI50 = 18620.87 nM 19482481
NPT369 Cell Line ACHN Homo sapiens TGI = 33884.42 nM 19482481
NPT139 Cell Line HT-29 Homo sapiens GI50 = 20892.96 nM 15620242
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 22908.68 nM 20634081
NPT390 Cell Line LOX IMVI Homo sapiens LC50 = 56234.13 nM 20634081
NPT380 Cell Line U-251 Homo sapiens GI50 = 18620.87 nM 25402632
NPT392 Cell Line SNB-75 Homo sapiens LC50 = 97723.72 nM 25402632
NPT392 Cell Line SNB-75 Homo sapiens TGI = 44668.36 nM 25402632
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 20892.96 nM 25402632
NPT390 Cell Line LOX IMVI Homo sapiens TGI = 30902.95 nM 25402632
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 17378.01 nM 25402632
NPT380 Cell Line U-251 Homo sapiens LC50 = 74131.02 nM 15270557
NPT380 Cell Line U-251 Homo sapiens TGI = 37153.52 nM 23795939
NPT388 Cell Line NCI-H322M Homo sapiens TGI = 100000 nM 22050318
NPT397 Cell Line NCI-H460 Homo sapiens LC50 = 79432.82 nM 16643040
NPT407 Cell Line COLO 205 Homo sapiens TGI = 38018.94 nM 8904842
NPT396 Cell Line T47D Homo sapiens IC50 = 8400 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 = 16982.44 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens IC50 = 7200 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens LC50 = 100000 nM 18396905
NPT386 Cell Line KM12 Homo sapiens TGI = 100000 nM 22742761
NPT386 Cell Line KM12 Homo sapiens GI50 = 35481.34 nM 10479343
NPT384 Cell Line TK-10 Homo sapiens TGI = 70794.58 nM 9917297
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 16218.1 nM 19928832
NPT457 Cell Line BT-549 Homo sapiens LC50 = 77624.71 nM 20335035
NPT396 Cell Line T47D Homo sapiens GI50 = 17782.79 nM 20363141
NPT457 Cell Line BT-549 Homo sapiens GI50 = 19054.61 nM 20363141
NPT396 Cell Line T47D Homo sapiens TGI = 89125.09 nM 20064677
NPT396 Cell Line T47D Homo sapiens LC50 = 100000 nM 20064677
NPT371 Cell Line UO-31 Homo sapiens LC50 = 72443.6 nM 20188576
NPT368 Cell Line SN12C Homo sapiens GI50 = 14791.08 nM 20163896
NPT457 Cell Line BT-549 Homo sapiens TGI = 38018.94 nM 19884366
NPT306 Cell Line PC-3 Homo sapiens GI50 = 19498.45 nM 20691339
NPT384 Cell Line TK-10 Homo sapiens LC50 = 100000 nM 16816845
NPT371 Cell Line UO-31 Homo sapiens GI50 = 16982.44 nM 19917752
NPT368 Cell Line SN12C Homo sapiens TGI = 40738.03 nM 20008780
NPT384 Cell Line TK-10 Homo sapiens GI50 = 29512.09 nM 20038628
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 16982.44 nM DrugMatrix in vitro pharmacology data
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 = 19952.62 nM DrugMatrix in vitro pharmacology data
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 18197.01 nM 22440624
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 = 100000 nM 22440624
NPT387 Cell Line M14 Homo sapiens LC50 = 72443.6 nM 22440624
NPT387 Cell Line M14 Homo sapiens GI50 = 19498.45 nM 22440624
NPT387 Cell Line M14 Homo sapiens TGI = 37153.52 nM 22440624
NPT375 Cell Line Malme-3M Homo sapiens TGI = 45708.82 nM 22440624
NPT375 Cell Line Malme-3M Homo sapiens LC50 = 91201.08 nM 22440624
NPT401 Cell Line 786-0 Homo sapiens GI50 = 18197.01 nM 10425119
NPT385 Cell Line SR Homo sapiens TGI = 40738.03 nM 12027740
NPT116 Cell Line HL-60 Homo sapiens LC50 = 100000 nM 20210346
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 13489.63 nM 23398362
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 = 58884.37 nM 23398362
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 = 53703.18 nM 23398362
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI = 26915.35 nM 23398362
NPT403 Cell Line UACC-257 Homo sapiens TGI = 85113.8 nM 23398362
NPT403 Cell Line UACC-257 Homo sapiens GI50 = 26915.35 nM 23398362
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 13489.63 nM 23398362
NPT403 Cell Line UACC-257 Homo sapiens LC50 = 100000 nM 23398362
NPT398 Cell Line UACC-62 Homo sapiens LC50 = 60255.96 nM 23398362
NPT398 Cell Line UACC-62 Homo sapiens TGI = 28183.83 nM 23398362
NPT306 Cell Line PC-3 Homo sapiens LC50 = 100000 nM 20025236
NPT90 Cell Line DU-145 Homo sapiens TGI = 44668.36 nM 20634081
NPT83 Cell Line MCF7 Homo sapiens LC50 = 100000 nM 20634081
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 25703.96 nM 25211032
NPT391 Cell Line HCC 2998 Homo sapiens LC50 = 100000 nM 23701465
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 15135.61 nM 23701465
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 21379.62 nM 23701465
NPT391 Cell Line HCC 2998 Homo sapiens TGI = 46773.51 nM 23701465
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 17782.79 nM 23562058
NPT148 Cell Line HCT-15 Homo sapiens TGI = 33113.11 nM 24900706
NPT393 Cell Line HCT-116 Homo sapiens TGI = 28183.83 nM 23587422
NPT393 Cell Line HCT-116 Homo sapiens LC50 = 53703.18 nM 23587422
NPT148 Cell Line HCT-15 Homo sapiens LC50 = 60255.96 nM 23685569
NPT116 Cell Line HL-60 Homo sapiens TGI = 41686.94 nM 27021426
NPT379 Cell Line HOP-62 Homo sapiens TGI = 30902.95 nM 10091690
NPT379 Cell Line HOP-62 Homo sapiens LC50 = 57543.99 nM 10091690
NPT394 Cell Line EKVX Homo sapiens LC50 = 100000 nM 14987066
NPT394 Cell Line EKVX Homo sapiens GI50 = 25703.96 nM 9873511
NPT394 Cell Line EKVX Homo sapiens TGI = 100000 nM 9873511
NPT81 Cell Line A549 Homo sapiens TGI = 100000 nM 2453615
NPT81 Cell Line A549 Homo sapiens LC50 = 100000 nM 2453615
NPT385 Cell Line SR Homo sapiens LC50 = 100000 nM 22934671
NPT81 Cell Line A549 Homo sapiens GI50 = 28183.83 nM 22934671
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI = 33884.42 nM 18166016
NPT2 Others Unspecified TGI = 53703.18 nM 24216090
NPT455 Cell Line NCI-H522 Homo sapiens LC50 = 97723.72 nM 9868148
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 = 23988.33 nM 17194827
NPT378 Cell Line NCI/ADR-RES Homo sapiens TGI = 57543.99 nM 17194827
NPT306 Cell Line PC-3 Homo sapiens TGI = 69183.1 nM 17194827
NPT90 Cell Line DU-145 Homo sapiens GI50 = 19054.61 nM 17194835
NPT90 Cell Line DU-145 Homo sapiens LC50 = 100000 nM 17194835
NPT83 Cell Line MCF7 Homo sapiens TGI = 72443.6 nM 17194835
NPT377 Cell Line OVCAR-3 Homo sapiens TGI = 30902.95 nM 21761866
NPT377 Cell Line OVCAR-3 Homo sapiens LC50 = 63095.73 nM 21761866
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 18197.01 nM 26200131
NPT456 Cell Line OVCAR-4 Homo sapiens TGI = 74131.02 nM 26200131
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 33113.11 nM 26200131
NPT458 Cell Line IGROV-1 Homo sapiens TGI = 100000 nM 26200131
NPT458 Cell Line IGROV-1 Homo sapiens LC50 = 100000 nM 26200131
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 15488.17 nM 26200131
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 = 100000 nM 19919065
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 24547.09 nM 19919065
NPT371 Cell Line UO-31 Homo sapiens TGI = 34673.69 nM DrugMatrix in vitro pharmacology data
NPT368 Cell Line SN12C Homo sapiens LC50 = 100000 nM 22871217
NPT388 Cell Line NCI-H322M Homo sapiens LC50 = 100000 nM 15711537
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 17378.01 nM 15711537
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 17782.79 nM 15711537
NPT455 Cell Line NCI-H522 Homo sapiens TGI = 41686.94 nM 15711537
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 17782.79 nM 15711537
NPT407 Cell Line COLO 205 Homo sapiens LC50 = 81283.05 nM 15711537
NPT323 Cell Line SW-620 Homo sapiens GI50 = 16595.87 nM 18183025
NPT323 Cell Line SW-620 Homo sapiens LC50 = 63095.73 nM 18183025
NPT323 Cell Line SW-620 Homo sapiens TGI = 32359.37 nM 18183025
NPT139 Cell Line HT-29 Homo sapiens LC50 = 100000 nM 18183025
NPT139 Cell Line HT-29 Homo sapiens TGI = 52480.75 nM 18183025
NPT395 Cell Line SF-268 Homo sapiens TGI = 67608.3 nM 18183025
NPT395 Cell Line SF-268 Homo sapiens GI50 = 25703.96 nM 18183025
NPT111 Cell Line K562 Homo sapiens LC50 = 100000 nM 18321057
NPT112 Cell Line MOLT-4 Homo sapiens TGI = 37153.52 nM 17243726
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 13803.84 nM 17243726
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 = 17378.01 nM 17243726
NPT112 Cell Line MOLT-4 Homo sapiens LC50 = 100000 nM 17315955
NPT389 Cell Line RPMI-8226 Homo sapiens LC50 = 100000 nM 17315955
NPT389 Cell Line RPMI-8226 Homo sapiens TGI = 50118.72 nM 17315955
NPT385 Cell Line SR Homo sapiens GI50 = 15848.93 nM 17315955
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 = 100000 nM 26034885
NPT400 Cell Line MDA-MB-435 Homo sapiens TGI = 46773.51 nM 26034885
NPT378 Cell Line NCI/ADR-RES Homo sapiens LC50 = 100000 nM 26034885
NPT2 Others Unspecified LC50 = 100000 nM 26034885
NPT2 Others Unspecified GI50 = 19054.61 nM 26034885
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 = 69183.1 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 35481.34 nM 16356713
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 = 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 6900 nM 26643220
NPT2 Others Unspecified IC50 = 4500 nM 26643220
NPT83 Cell Line MCF7 Homo sapiens GI50 = 23988.33 nM 15165138
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 = 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens TGI = 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 = 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens TGI = 69183.1 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 23988.33 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens TGI = 52480.75 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens TGI = 36307.81 nM PubChem BioAssay data set

  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 NPC471459 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 NPC67653
0.9412 High Similarity NPC131104
0.9412 High Similarity NPC3032
0.9412 High Similarity NPC473319
0.9398 High Similarity NPC219535
0.9398 High Similarity NPC237938
0.9195 High Similarity NPC475211
0.9195 High Similarity NPC88337
0.9176 High Similarity NPC83242
0.9167 High Similarity NPC473299
0.8941 High Similarity NPC477434
0.8941 High Similarity NPC181871
0.8941 High Similarity NPC9060
0.8837 High Similarity NPC474572
0.8791 High Similarity NPC62407
0.8791 High Similarity NPC287354
0.8778 High Similarity NPC476189
0.8721 High Similarity NPC473336
0.8721 High Similarity NPC471044
0.8652 High Similarity NPC477443
0.8652 High Similarity NPC477440
0.8652 High Similarity NPC200580
0.8621 High Similarity NPC62572
0.8556 High Similarity NPC477444
0.8556 High Similarity NPC477433
0.8556 High Similarity NPC477442
0.8556 High Similarity NPC185529
0.8556 High Similarity NPC472146
0.8539 High Similarity NPC236459
0.8523 High Similarity NPC248216
0.8523 High Similarity NPC120395
0.8506 High Similarity NPC34984
0.8506 High Similarity NPC25037
0.8495 Intermediate Similarity NPC235109
0.8495 Intermediate Similarity NPC163685
0.8488 Intermediate Similarity NPC61107
0.8488 Intermediate Similarity NPC289486
0.8462 Intermediate Similarity NPC475878
0.8444 Intermediate Similarity NPC61688
0.8427 Intermediate Similarity NPC470920
0.8409 Intermediate Similarity NPC473350
0.8404 Intermediate Similarity NPC472145
0.8391 Intermediate Similarity NPC15091
0.8387 Intermediate Similarity NPC82633
0.8372 Intermediate Similarity NPC476071
0.8372 Intermediate Similarity NPC48756
0.8372 Intermediate Similarity NPC50658
0.8372 Intermediate Similarity NPC280781
0.8352 Intermediate Similarity NPC50443
0.8352 Intermediate Similarity NPC18536
0.8352 Intermediate Similarity NPC77756
0.8333 Intermediate Similarity NPC471221
0.8316 Intermediate Similarity NPC471038
0.8316 Intermediate Similarity NPC472144
0.8298 Intermediate Similarity NPC193785
0.828 Intermediate Similarity NPC247877
0.828 Intermediate Similarity NPC309127
0.8261 Intermediate Similarity NPC52756
0.8256 Intermediate Similarity NPC125366
0.8235 Intermediate Similarity NPC472608
0.8214 Intermediate Similarity NPC474020
0.8202 Intermediate Similarity NPC477205
0.8202 Intermediate Similarity NPC477445
0.8172 Intermediate Similarity NPC474379
0.8172 Intermediate Similarity NPC161035
0.8161 Intermediate Similarity NPC475743
0.8161 Intermediate Similarity NPC474870
0.8161 Intermediate Similarity NPC271572
0.8152 Intermediate Similarity NPC470114
0.8144 Intermediate Similarity NPC46848
0.814 Intermediate Similarity NPC80891
0.814 Intermediate Similarity NPC320144
0.814 Intermediate Similarity NPC201276
0.8132 Intermediate Similarity NPC226491
0.8132 Intermediate Similarity NPC477614
0.8111 Intermediate Similarity NPC476717
0.8111 Intermediate Similarity NPC302111
0.8111 Intermediate Similarity NPC477441
0.8105 Intermediate Similarity NPC329910
0.8105 Intermediate Similarity NPC475765
0.8105 Intermediate Similarity NPC200054
0.8105 Intermediate Similarity NPC116683
0.8105 Intermediate Similarity NPC475785
0.8105 Intermediate Similarity NPC29410
0.809 Intermediate Similarity NPC50438
0.8085 Intermediate Similarity NPC470424
0.8068 Intermediate Similarity NPC30583
0.8068 Intermediate Similarity NPC2096
0.8068 Intermediate Similarity NPC208912
0.8061 Intermediate Similarity NPC470172
0.8061 Intermediate Similarity NPC275990
0.8046 Intermediate Similarity NPC261616
0.8046 Intermediate Similarity NPC134227
0.8041 Intermediate Similarity NPC293866
0.8039 Intermediate Similarity NPC470622
0.8023 Intermediate Similarity NPC185465
0.8023 Intermediate Similarity NPC80089
0.8023 Intermediate Similarity NPC31031
0.8023 Intermediate Similarity NPC224802
0.8023 Intermediate Similarity NPC34046
0.8023 Intermediate Similarity NPC171426
0.8023 Intermediate Similarity NPC243594
0.8023 Intermediate Similarity NPC324700
0.8022 Intermediate Similarity NPC239938
0.8 Intermediate Similarity NPC98639
0.8 Intermediate Similarity NPC131350
0.8 Intermediate Similarity NPC471046
0.8 Intermediate Similarity NPC108840
0.8 Intermediate Similarity NPC470232
0.8 Intermediate Similarity NPC470229
0.8 Intermediate Similarity NPC305808
0.798 Intermediate Similarity NPC277074
0.798 Intermediate Similarity NPC122811
0.798 Intermediate Similarity NPC473406
0.798 Intermediate Similarity NPC209298
0.798 Intermediate Similarity NPC139347
0.798 Intermediate Similarity NPC87927
0.7979 Intermediate Similarity NPC472148
0.7979 Intermediate Similarity NPC199543
0.7979 Intermediate Similarity NPC472147
0.7979 Intermediate Similarity NPC244356
0.7979 Intermediate Similarity NPC224060
0.7978 Intermediate Similarity NPC213737
0.7978 Intermediate Similarity NPC474284
0.7978 Intermediate Similarity NPC475820
0.7978 Intermediate Similarity NPC474346
0.7978 Intermediate Similarity NPC474253
0.7976 Intermediate Similarity NPC55508
0.7959 Intermediate Similarity NPC52899
0.7959 Intermediate Similarity NPC163963
0.7959 Intermediate Similarity NPC289148
0.7955 Intermediate Similarity NPC58631
0.7955 Intermediate Similarity NPC73515
0.7938 Intermediate Similarity NPC20479
0.7938 Intermediate Similarity NPC474793
0.7938 Intermediate Similarity NPC38296
0.7938 Intermediate Similarity NPC89099
0.7938 Intermediate Similarity NPC162459
0.7938 Intermediate Similarity NPC38471
0.7938 Intermediate Similarity NPC98837
0.7938 Intermediate Similarity NPC28864
0.7935 Intermediate Similarity NPC476435
0.7931 Intermediate Similarity NPC73013
0.7921 Intermediate Similarity NPC201908
0.7921 Intermediate Similarity NPC176949
0.7917 Intermediate Similarity NPC256227
0.7912 Intermediate Similarity NPC472272
0.7912 Intermediate Similarity NPC80700
0.7907 Intermediate Similarity NPC143133
0.7907 Intermediate Similarity NPC298168
0.7907 Intermediate Similarity NPC112463
0.7907 Intermediate Similarity NPC207010
0.7907 Intermediate Similarity NPC221420
0.7907 Intermediate Similarity NPC317913
0.7907 Intermediate Similarity NPC307865
0.7907 Intermediate Similarity NPC143250
0.79 Intermediate Similarity NPC98603
0.79 Intermediate Similarity NPC327093
0.7895 Intermediate Similarity NPC469982
0.7895 Intermediate Similarity NPC475118
0.7895 Intermediate Similarity NPC47853
0.7895 Intermediate Similarity NPC470386
0.7895 Intermediate Similarity NPC470385
0.7889 Intermediate Similarity NPC475689
0.7889 Intermediate Similarity NPC65133
0.7889 Intermediate Similarity NPC319909
0.7889 Intermediate Similarity NPC105895
0.7882 Intermediate Similarity NPC159789
0.7882 Intermediate Similarity NPC179858
0.7879 Intermediate Similarity NPC80640
0.7879 Intermediate Similarity NPC246736
0.7879 Intermediate Similarity NPC214946
0.7879 Intermediate Similarity NPC148628
0.7879 Intermediate Similarity NPC471254
0.7879 Intermediate Similarity NPC76866
0.7879 Intermediate Similarity NPC286519
0.7879 Intermediate Similarity NPC304832
0.7879 Intermediate Similarity NPC88203
0.7872 Intermediate Similarity NPC216137
0.7865 Intermediate Similarity NPC268040
0.7865 Intermediate Similarity NPC121121
0.7857 Intermediate Similarity NPC470388
0.7857 Intermediate Similarity NPC474755
0.7857 Intermediate Similarity NPC287676
0.7857 Intermediate Similarity NPC267921
0.7857 Intermediate Similarity NPC80417
0.7849 Intermediate Similarity NPC24705
0.7849 Intermediate Similarity NPC56962
0.7841 Intermediate Similarity NPC477851
0.7835 Intermediate Similarity NPC472273
0.7835 Intermediate Similarity NPC10864
0.7835 Intermediate Similarity NPC471241
0.7835 Intermediate Similarity NPC253586
0.7826 Intermediate Similarity NPC252714
0.7826 Intermediate Similarity NPC263802
0.7822 Intermediate Similarity NPC37600
0.7822 Intermediate Similarity NPC200957
0.7822 Intermediate Similarity NPC138908
0.7822 Intermediate Similarity NPC295366
0.7816 Intermediate Similarity NPC475725

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471459 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
0.8023 Intermediate Similarity NPD6118 Approved
0.8023 Intermediate Similarity NPD6697 Approved
0.8023 Intermediate Similarity NPD6115 Approved
0.8023 Intermediate Similarity NPD6114 Approved
0.7907 Intermediate Similarity NPD6116 Phase 1
0.7882 Intermediate Similarity NPD3703 Phase 2
0.7791 Intermediate Similarity NPD6117 Approved
0.7684 Intermediate Similarity NPD8034 Phase 2
0.7684 Intermediate Similarity NPD8035 Phase 2
0.7558 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7902 Approved
0.7294 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5777 Approved
0.7117 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4245 Approved
0.7011 Intermediate Similarity NPD4244 Approved
0.7 Intermediate Similarity NPD7900 Approved
0.7 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7748 Approved
0.697 Remote Similarity NPD7515 Phase 2
0.6944 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6941 Remote Similarity NPD4224 Phase 2
0.6932 Remote Similarity NPD6081 Approved
0.6923 Remote Similarity NPD1700 Approved
0.69 Remote Similarity NPD6399 Phase 3
0.6897 Remote Similarity NPD8328 Phase 3
0.6897 Remote Similarity NPD3698 Phase 2
0.6889 Remote Similarity NPD3702 Approved
0.6882 Remote Similarity NPD6928 Phase 2
0.6818 Remote Similarity NPD4789 Approved
0.6789 Remote Similarity NPD6373 Approved
0.6789 Remote Similarity NPD6372 Approved
0.6782 Remote Similarity NPD5360 Phase 3
0.6782 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD3671 Phase 1
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD7736 Approved
0.6628 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6591 Remote Similarity NPD229 Approved
0.6581 Remote Similarity NPD6921 Approved
0.6555 Remote Similarity NPD7492 Approved
0.6545 Remote Similarity NPD6899 Approved
0.6545 Remote Similarity NPD7320 Approved
0.6545 Remote Similarity NPD6881 Approved
0.6542 Remote Similarity NPD7632 Discontinued
0.6509 Remote Similarity NPD8418 Phase 2
0.65 Remote Similarity NPD6616 Approved
0.6496 Remote Similarity NPD6054 Approved
0.6496 Remote Similarity NPD6319 Approved
0.6496 Remote Similarity NPD6059 Approved
0.6495 Remote Similarity NPD3669 Approved
0.6495 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4802 Phase 2
0.6489 Remote Similarity NPD4238 Approved
0.6458 Remote Similarity NPD1780 Approved
0.6458 Remote Similarity NPD1779 Approved
0.6455 Remote Similarity NPD5697 Approved
0.6455 Remote Similarity NPD5701 Approved
0.6446 Remote Similarity NPD7078 Approved
0.6446 Remote Similarity NPD8293 Discontinued
0.6436 Remote Similarity NPD5328 Approved
0.6429 Remote Similarity NPD7102 Approved
0.6429 Remote Similarity NPD6883 Approved
0.6429 Remote Similarity NPD7290 Approved
0.6429 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4632 Approved
0.6404 Remote Similarity NPD8133 Approved
0.6396 Remote Similarity NPD6011 Approved
0.6387 Remote Similarity NPD6370 Approved
0.6381 Remote Similarity NPD4697 Phase 3
0.6374 Remote Similarity NPD4758 Discontinued
0.6372 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6372 Remote Similarity NPD6869 Approved
0.6372 Remote Similarity NPD6847 Approved
0.6372 Remote Similarity NPD6617 Approved
0.6372 Remote Similarity NPD8130 Phase 1
0.6341 Remote Similarity NPD7319 Approved
0.6339 Remote Similarity NPD6014 Approved
0.6339 Remote Similarity NPD6012 Approved
0.6339 Remote Similarity NPD6013 Approved
0.6339 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6882 Approved
0.6316 Remote Similarity NPD5364 Discontinued
0.6316 Remote Similarity NPD8297 Approved
0.6311 Remote Similarity NPD6411 Approved
0.6311 Remote Similarity NPD6079 Approved
0.6303 Remote Similarity NPD6016 Approved
0.6303 Remote Similarity NPD6015 Approved
0.63 Remote Similarity NPD3618 Phase 1
0.6293 Remote Similarity NPD6940 Discontinued
0.625 Remote Similarity NPD9496 Clinical (unspecified phase)
0.625 Remote Similarity NPD5988 Approved
0.625 Remote Similarity NPD8171 Discontinued
0.6239 Remote Similarity NPD6009 Approved
0.6239 Remote Similarity NPD7115 Discovery
0.623 Remote Similarity NPD7507 Approved
0.6198 Remote Similarity NPD7604 Phase 2
0.6176 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4755 Approved
0.6167 Remote Similarity NPD5983 Phase 2
0.6161 Remote Similarity NPD6412 Phase 2
0.6161 Remote Similarity NPD5954 Clinical (unspecified phase)
0.614 Remote Similarity NPD4634 Approved
0.6129 Remote Similarity NPD6033 Approved
0.6117 Remote Similarity NPD6101 Approved
0.6117 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4225 Approved
0.61 Remote Similarity NPD4786 Approved
0.6098 Remote Similarity NPD6336 Discontinued
0.6095 Remote Similarity NPD5778 Approved
0.6095 Remote Similarity NPD5779 Approved
0.6078 Remote Similarity NPD3573 Approved
0.6075 Remote Similarity NPD5221 Approved
0.6075 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5222 Approved
0.6061 Remote Similarity NPD3667 Approved
0.6055 Remote Similarity NPD4700 Approved
0.6055 Remote Similarity NPD5286 Approved
0.6055 Remote Similarity NPD5285 Approved
0.6055 Remote Similarity NPD4696 Approved
0.605 Remote Similarity NPD6335 Approved
0.6033 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6024 Remote Similarity NPD615 Clinical (unspecified phase)
0.6024 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6084 Phase 2
0.6019 Remote Similarity NPD6083 Phase 2
0.6019 Remote Similarity NPD5173 Approved
0.6017 Remote Similarity NPD6274 Approved
0.6017 Remote Similarity NPD6868 Approved
0.6 Remote Similarity NPD7100 Approved
0.6 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD4788 Approved
0.5981 Remote Similarity NPD7991 Discontinued
0.5981 Remote Similarity NPD6356 Clinical (unspecified phase)
0.598 Remote Similarity NPD7334 Approved
0.598 Remote Similarity NPD5330 Approved
0.598 Remote Similarity NPD3574 Clinical (unspecified phase)
0.598 Remote Similarity NPD7146 Approved
0.598 Remote Similarity NPD6409 Approved
0.598 Remote Similarity NPD6684 Approved
0.598 Remote Similarity NPD7521 Approved
0.5966 Remote Similarity NPD6317 Approved
0.5965 Remote Similarity NPD6686 Approved
0.5955 Remote Similarity NPD7909 Approved
0.5946 Remote Similarity NPD5211 Phase 2
0.5946 Remote Similarity NPD4633 Approved
0.5946 Remote Similarity NPD5224 Approved
0.5946 Remote Similarity NPD5225 Approved
0.5946 Remote Similarity NPD5226 Approved
0.5943 Remote Similarity NPD4202 Approved
0.5929 Remote Similarity NPD6920 Discontinued
0.5918 Remote Similarity NPD7645 Phase 2
0.5917 Remote Similarity NPD6314 Approved
0.5917 Remote Similarity NPD6313 Approved
0.5914 Remote Similarity NPD4787 Phase 1
0.5902 Remote Similarity NPD8516 Approved
0.5902 Remote Similarity NPD8517 Approved
0.5902 Remote Similarity NPD6909 Approved
0.5902 Remote Similarity NPD8515 Approved
0.5902 Remote Similarity NPD8513 Phase 3
0.5902 Remote Similarity NPD6908 Approved
0.5893 Remote Similarity NPD5174 Approved
0.5893 Remote Similarity NPD4754 Approved
0.5893 Remote Similarity NPD5175 Approved
0.5865 Remote Similarity NPD6672 Approved
0.5865 Remote Similarity NPD5737 Approved
0.5865 Remote Similarity NPD6903 Approved
0.5862 Remote Similarity NPD3198 Approved
0.5859 Remote Similarity NPD7525 Registered
0.5847 Remote Similarity NPD8298 Phase 2
0.5841 Remote Similarity NPD5141 Approved
0.5841 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5841 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5786 Approved
0.5818 Remote Similarity NPD5696 Approved
0.581 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5806 Remote Similarity NPD6067 Discontinued
0.5804 Remote Similarity NPD8086 Approved
0.5804 Remote Similarity NPD8082 Approved
0.5804 Remote Similarity NPD8139 Approved
0.5804 Remote Similarity NPD8084 Approved
0.5804 Remote Similarity NPD8138 Approved

Structure

External Identifiers

PubChem CID   44445342
ChEMBL   CHEMBL251083
ZINC  

Physicochemical Properties

Molecular Weight:  418.27
ALogP:  -0.474
MLogP:  3.66
XLogP:  4.654
# Rotatable Bonds:  8
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  30

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Biological Activities  
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