Natural Product: NPC475462

Natural Product ID:  NPC475462
Common Name:   Azadirachtin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H44O16
Standard InCHIKey:  FTNJWQUOZFUQQJ-GEPYADMXSA-N
Standard InCHI:  InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20+,21+,22+,23+,25-,28-,29+,30-,31-,32-,33-,34-,35-/m0/s1
Canonical SMILES:  C/C=C(/C(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2([C@H]3[C@@]41CO[C@]([C@H]4[C@@](C)([C@@H]([C@@H]3OC2)O)[C@@]12O[C@@]2(C)[C@@H]2C[C@H]1O[C@H]1[C@]2(O)C=CO1)(O)C(=O)OC)C(=O)OC)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
NPO10033 Turraea pubescens Species Meliaceae Eukaryota Twigs Dongfang, Hainan Province, China 2010-MAR PMID[23734701]
NPO33100 clerodendron sp. Species Lamiaceae Eukaryota PMID[12617583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5474 Organism Schistocerca americana Schistocerca americana Activity = 0.4 cm2 21452899
NPT1579 Organism Heliothis virescens Heliothis virescens Activity = 60 % 8984155
NPT1579 Organism Heliothis virescens Heliothis virescens Activity = 60 % 21090694
NPT1579 Organism Heliothis virescens Heliothis virescens Activity = 60 % 18558745
NPT849 Organism Plutella xylostella Plutella xylostella Activity <= 2 % 21546253
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera Inhibition <= 76 % 19105653
NPT846 Organism Cnaphalocrocis medinalis Cnaphalocrocis medinalis Activity = 0.0277 mg/kg/day 24273638
NPT846 Organism Cnaphalocrocis medinalis Cnaphalocrocis medinalis Activity = 0.427 mg/kg/day 24273638
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 62.5 % 22934671
NPT1194 Organism Earias vitella Earias vitella Activity = 25 % 24893224
NPT1175 Organism Spodoptera litura Spodoptera litura ED50 = 0.89 microg/cm2 17253840
NPT722 Organism Athelia rolfsii Athelia rolfsii ED50 = 121.9 ppm 19473028
NPT776 Organism Spodoptera littoralis Spodoptera littoralis LC50 = 0.04 ppm 15165132
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LC50 = 186.16 ppm 22647719
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 2.5 mm 20035557
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 13.5 mm 20035557
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 0.013 ug 20138519
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 0.012 ug 20138519
NPT722 Organism Athelia rolfsii Athelia rolfsii ED50 = 93.6 ppm 20020916
NPT1194 Organism Earias vitella Earias vitella Activity = 37 % 22301215
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 91.6 % 24463437
NPT3062 Organism Spodoptera eridania Spodoptera eridania Activity = 60 % 24972340
NPT3773 Organism Epilachna varivestis Epilachna varivestis Activity = 90 % 25462270
NPT1175 Organism Spodoptera litura Spodoptera litura LC50 = 133.89 ppm 16723227
NPT1175 Organism Spodoptera litura Spodoptera litura LC90 = 3278.46 ppm 16723227
NPT1175 Organism Spodoptera litura Spodoptera litura LC50 = 118.8 ppm 17004718
NPT846 Organism Cnaphalocrocis medinalis Cnaphalocrocis medinalis Activity = 52.72 % 23252603
NPT1175 Organism Spodoptera litura Spodoptera litura LC50 = 18.89 microg/cm2 25238284
NPT1643 Organism Epilachna Epilachna ED50 = 0.59 ug 15787455
NPT785 Organism Pieris brassicae Pieris brassicae Activity = 99.5 % 18715034
NPT849 Organism Plutella xylostella Plutella xylostella Survival < 60 % 3236014
NPT780 Organism Sitophilus zeamais Sitophilus zeamais EC50 = 57 ppm 8377014
NPT1419 Organism Tribolium castaneum Tribolium castaneum EC50 = 1 ppm 8377014
NPT1419 Organism Tribolium castaneum Tribolium castaneum EC50 = 3 ppm 11000019
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera EC50 = 0.4 ppm 4020828
NPT2747 Organism Achaea janata Achaea janata Activity = 0 % DrugMatrix in vitro pharmacology data
NPT1175 Organism Spodoptera litura Spodoptera litura LC50 = 127.5 ppm 19226154
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 51.12 % 22642560
NPT1175 Organism Spodoptera litura Spodoptera litura LC90 = 412.78 ppm 11931626
NPT6385 Organism Rotylenchulus reniformis Rotylenchulus reniformis EC50 = 151.9 ppm 16472241
NPT529 Organism Rhizoctonia solani Rhizoctonia solani ED50 = 104.8 ppm PubChem BioAssay data set
NPT529 Organism Rhizoctonia solani Rhizoctonia solani ED50 = 132.2 ppm PubChem BioAssay data set
NPT6385 Organism Rotylenchulus reniformis Rotylenchulus reniformis EC50 = 119.1 ppm PubChem BioAssay data set
NPT529 Organism Rhizoctonia solani Rhizoctonia solani ED50 = 165.2 ppm PubChem BioAssay data set
NPT2747 Organism Achaea janata Achaea janata LC50 = 21.3 microg/cm2 20038128
NPT2747 Organism Achaea janata Achaea janata LD50 = 0.67 microg/cm2 8277312
NPT849 Organism Plutella xylostella Plutella xylostella Survival = 50 % 18044832
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera EC95 = 1.46 ppm 23454511
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera EC50 = 0.26 ppm 19459645
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 21 % 24930833
NPT2 Others Unspecified Activity = 88 % 18077363
NPT2 Others Unspecified Activity = 84 % 18077363
NPT1643 Organism Epilachna Epilachna LD50 = 1.24 microg/cm2 17402783
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 70 % 25237727
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 100 % 25237727
NPT3773 Organism Epilachna varivestis Epilachna varivestis Activity = 90 % 18348535
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 10.1 % 24460410
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 10.1 % 23030848
NPT6597 Organism Ostrinia furnacalis Ostrinia furnacalis Activity = 7.8 ug 20196571
NPT6597 Organism Ostrinia furnacalis Ostrinia furnacalis Activity = 1.2 ug 1336040
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 95.4 % DrugMatrix in vitro pharmacology data
NPT4388 Organism Tuta absoluta Tuta absoluta Survival < 4 % 10.1016/0960-894X(96)00418-0
NPT4388 Organism Tuta absoluta Tuta absoluta LC50 = 10.09 mgAi/L 10.1016/0960-894X(96)00418-0
NPT4388 Organism Tuta absoluta Tuta absoluta LC50 = 5.62 mgAi/L 8176712
NPT4388 Organism Tuta absoluta Tuta absoluta LC90 = 64.06 mgAi/L 8176712
NPT4388 Organism Tuta absoluta Tuta absoluta LC90 = 32.71 mgAi/L 8176712
NPT4388 Organism Tuta absoluta Tuta absoluta Ratio = 1.65 8176712
NPT4388 Organism Tuta absoluta Tuta absoluta Ratio = 1.8 8176712
NPT3773 Organism Epilachna varivestis Epilachna varivestis Activity = 60 % 26789657
NPT3773 Organism Epilachna varivestis Epilachna varivestis Activity = 30 % 14971898
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 1.28 mg/kg 17403996
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 0.87 mg/kg 17438052
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 7.04 mg/kg 17438052
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 4.12 mg/kg 17438052
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 66.2 % DrugMatrix in vitro pharmacology data
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 61.6 % DrugMatrix in vitro pharmacology data
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 75.2 % DrugMatrix in vitro pharmacology data
NPT849 Organism Plutella xylostella Plutella xylostella Survival = 50 % DrugMatrix in vitro pharmacology data
NPT849 Organism Plutella xylostella Plutella xylostella Survival < 60 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 20.3 ug/ml 21930377
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 247.2 ug DrugMatrix in vivo data: Biochemistry
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 28.5 % 9584394
NPT1769 Organism Mythimna separata Mythimna separata EC50 = 579.43 nM 17923492
NPT1194 Organism Earias vitella Earias vitella Activity = 59.2 ug PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 74.42 % 19581457
NPT454 Organism Tenebrio molitor Tenebrio molitor Inhibition = 29.57 % 20585132
NPT2747 Organism Achaea janata Achaea janata Activity = 100 % 22061825
NPT116 Cell Line HL-60 Homo sapiens IC50 < 10000 nM 20619938
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 79.2 % 17503850
NPT1194 Organism Earias vitella Earias vitella Activity = 79.2 % 17503850
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 2.1 % 20004577
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 5.1 % 20004577
NPT849 Organism Plutella xylostella Plutella xylostella Activity <= 2 % 20004577
NPT849 Organism Plutella xylostella Plutella xylostella Activity <= 2 % 1800632
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 2.1 % 1800632
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 2 mm 1800632
NPT4388 Organism Tuta absoluta Tuta absoluta Ratio = 1.96 11575949
NPT1769 Organism Mythimna separata Mythimna separata EC50 = 0.58 ug/ml 15656657
NPT1643 Organism Epilachna Epilachna ED50 = 0.72 microg/cm2 10650082
NPT2747 Organism Achaea janata Achaea janata Activity = 98.8 % 11374948
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 94.8 % 15497935
NPT4388 Organism Tuta absoluta Tuta absoluta Survival = 25 % 10425118
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 20000 nM 23398362
NPT776 Organism Spodoptera littoralis Spodoptera littoralis LC50 = 6.1 mg/kg 25700232
NPT2747 Organism Achaea janata Achaea janata Activity = 0 % 24387347
NPT6597 Organism Ostrinia furnacalis Ostrinia furnacalis Activity = 22 ug 17341114
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 11 % 12105963
NPT846 Organism Cnaphalocrocis medinalis Cnaphalocrocis medinalis Activity = 12.36 % 24487236
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 76.7 % 18163588
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 42.8 % 16134928
NPT2747 Organism Achaea janata Achaea janata Activity = 696.4 ug 19739600
NPT6276 Organism Popillia japonica Popillia japonica Activity = 87.2 % 19453174
NPT6276 Organism Popillia japonica Popillia japonica Activity = 64.1 % 22148396
NPT6307 Organism Amphimallon majalis Amphimallon majalis Activity = 1.1 % 22148396
NPT6307 Organism Amphimallon majalis Amphimallon majalis Activity = 4 % 21761866
NPT6276 Organism Popillia japonica Popillia japonica Activity = 74.3 % 21761866
NPT6307 Organism Amphimallon majalis Amphimallon majalis Activity = 15.8 % 21761866
NPT2747 Organism Achaea janata Achaea janata ED50 = 0.72 microg/cm2 23215460
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0 12828469
NPT722 Organism Athelia rolfsii Athelia rolfsii ED50 = 140.5 ppm 8759172
NPT5473 Organism Diaprepes abbreviatus Diaprepes abbreviatus Activity = 1.8 cm2 20329739
NPT5473 Organism Diaprepes abbreviatus Diaprepes abbreviatus Activity = 0.74 cm2 20402524
NPT5474 Organism Schistocerca americana Schistocerca americana Activity = 0.29 cm2 20146503
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 100 % 16038557
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 83.3 % 20045319
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 85.5 % 26341132
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 2.2 mm 18348533
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 14.8 mm 10096858
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 0.016 ug 16562846
NPT3062 Organism Spodoptera eridania Spodoptera eridania Activity = 60 % 15730244
NPT3062 Organism Spodoptera eridania Spodoptera eridania Activity = 90 % 15730244
NPT3773 Organism Epilachna varivestis Epilachna varivestis Activity = 90 % 15730244
NPT3062 Organism Spodoptera eridania Spodoptera eridania Activity = 60 % 21105682
NPT3062 Organism Spodoptera eridania Spodoptera eridania Activity = 30 % 21105682
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 14.7 mm PubChem BioAssay data set
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera GI <= 80 % 16643029
NPT846 Organism Cnaphalocrocis medinalis Cnaphalocrocis medinalis Activity = 0.187 mg/kg/day 18411318
NPT6385 Organism Rotylenchulus reniformis Rotylenchulus reniformis EC50 = 193.9 ppm 18710917
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 > 3540 mg/kg 18443122
NPT2747 Organism Achaea janata Achaea janata Activity = 98.8 % 19487444
NPT2747 Organism Achaea janata Achaea janata ED50 = 0.72 microg/cm2 Open TG-GATES in vivo data: Organ Weight
NPT776 Organism Spodoptera littoralis Spodoptera littoralis EC50 = 0.11 mg/kg DrugMatrix in vivo data: Biochemistry
NPT4520 Organism Lymantria dispar Lymantria dispar EC50 = 0.6 mg/kg DrugMatrix in vivo data: Biochemistry
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0 1431945
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0 6533259
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0.3 6533259
NPT2747 Organism Achaea janata Achaea janata Activity = 696.4 ug 9392875
NPT776 Organism Spodoptera littoralis Spodoptera littoralis LC50 = 8.2 ppm 25856683

  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 NPC475462 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 NPC16729
0.9925 High Similarity NPC48813
0.9925 High Similarity NPC194854
0.9701 High Similarity NPC471172
0.9699 High Similarity NPC48414
0.9699 High Similarity NPC5153
0.9481 High Similarity NPC471171
0.9248 High Similarity NPC256618
0.9248 High Similarity NPC219058
0.9173 High Similarity NPC475376
0.9023 High Similarity NPC42206
0.8889 High Similarity NPC470117
0.875 High Similarity NPC471234
0.8406 Intermediate Similarity NPC88668
0.8333 Intermediate Similarity NPC471855
0.8298 Intermediate Similarity NPC140045
0.8298 Intermediate Similarity NPC596
0.8298 Intermediate Similarity NPC295885
0.8227 Intermediate Similarity NPC251998
0.8227 Intermediate Similarity NPC141215
0.8227 Intermediate Similarity NPC471089
0.8227 Intermediate Similarity NPC190065
0.8188 Intermediate Similarity NPC471407
0.8188 Intermediate Similarity NPC470851
0.8175 Intermediate Similarity NPC469757
0.8175 Intermediate Similarity NPC42399
0.8175 Intermediate Similarity NPC471357
0.8175 Intermediate Similarity NPC146456
0.8175 Intermediate Similarity NPC117702
0.8156 Intermediate Similarity NPC262813
0.8129 Intermediate Similarity NPC213634
0.8129 Intermediate Similarity NPC476852
0.8129 Intermediate Similarity NPC473838
0.8129 Intermediate Similarity NPC475389
0.8116 Intermediate Similarity NPC470850
0.8116 Intermediate Similarity NPC473620
0.8116 Intermediate Similarity NPC311534
0.8112 Intermediate Similarity NPC79250
0.8112 Intermediate Similarity NPC75616
0.8112 Intermediate Similarity NPC290746
0.8099 Intermediate Similarity NPC59288
0.8085 Intermediate Similarity NPC478072
0.8071 Intermediate Similarity NPC475139
0.8071 Intermediate Similarity NPC231240
0.8071 Intermediate Similarity NPC472769
0.8071 Intermediate Similarity NPC180902
0.8058 Intermediate Similarity NPC471352
0.8058 Intermediate Similarity NPC471359
0.8058 Intermediate Similarity NPC476851
0.8058 Intermediate Similarity NPC17896
0.8058 Intermediate Similarity NPC473593
0.8058 Intermediate Similarity NPC469751
0.8058 Intermediate Similarity NPC469755
0.8058 Intermediate Similarity NPC10823
0.8058 Intermediate Similarity NPC197707
0.8058 Intermediate Similarity NPC180079
0.8058 Intermediate Similarity NPC251866
0.8058 Intermediate Similarity NPC469754
0.8058 Intermediate Similarity NPC471358
0.8058 Intermediate Similarity NPC284406
0.8058 Intermediate Similarity NPC89514
0.8058 Intermediate Similarity NPC469752
0.8058 Intermediate Similarity NPC86159
0.8058 Intermediate Similarity NPC471361
0.8058 Intermediate Similarity NPC9499
0.8058 Intermediate Similarity NPC471360
0.8058 Intermediate Similarity NPC70542
0.8058 Intermediate Similarity NPC6108
0.8058 Intermediate Similarity NPC470880
0.8058 Intermediate Similarity NPC219085
0.8058 Intermediate Similarity NPC469753
0.8043 Intermediate Similarity NPC287423
0.8043 Intermediate Similarity NPC298841
0.8028 Intermediate Similarity NPC194716
0.8028 Intermediate Similarity NPC171619
0.8014 Intermediate Similarity NPC157817
0.8014 Intermediate Similarity NPC316915
0.8014 Intermediate Similarity NPC104585
0.8014 Intermediate Similarity NPC225385
0.8014 Intermediate Similarity NPC298783
0.8014 Intermediate Similarity NPC247190
0.8014 Intermediate Similarity NPC469749
0.8014 Intermediate Similarity NPC142756
0.8014 Intermediate Similarity NPC116075
0.8014 Intermediate Similarity NPC146857
0.8014 Intermediate Similarity NPC478151
0.8014 Intermediate Similarity NPC32793
0.8 Intermediate Similarity NPC477493
0.8 Intermediate Similarity NPC471170
0.8 Intermediate Similarity NPC173347
0.8 Intermediate Similarity NPC25887
0.7986 Intermediate Similarity NPC114306
0.7986 Intermediate Similarity NPC476091
0.7986 Intermediate Similarity NPC476078
0.7986 Intermediate Similarity NPC476859
0.7986 Intermediate Similarity NPC477490
0.7972 Intermediate Similarity NPC329675
0.7972 Intermediate Similarity NPC62172
0.7972 Intermediate Similarity NPC289700
0.7958 Intermediate Similarity NPC473548
0.7958 Intermediate Similarity NPC329636
0.7958 Intermediate Similarity NPC475154
0.7958 Intermediate Similarity NPC471137
0.7958 Intermediate Similarity NPC476823
0.7958 Intermediate Similarity NPC182266
0.7958 Intermediate Similarity NPC100017
0.7958 Intermediate Similarity NPC223356
0.7958 Intermediate Similarity NPC475500
0.7958 Intermediate Similarity NPC471136
0.7956 Intermediate Similarity NPC27363
0.7945 Intermediate Similarity NPC470426
0.7943 Intermediate Similarity NPC478152
0.7943 Intermediate Similarity NPC93416
0.7943 Intermediate Similarity NPC42670
0.7943 Intermediate Similarity NPC478150
0.7943 Intermediate Similarity NPC478154
0.7943 Intermediate Similarity NPC19124
0.7943 Intermediate Similarity NPC478153
0.7929 Intermediate Similarity NPC231529
0.7929 Intermediate Similarity NPC472770
0.7929 Intermediate Similarity NPC475371
0.7929 Intermediate Similarity NPC162495
0.7929 Intermediate Similarity NPC175186
0.7929 Intermediate Similarity NPC104382
0.7929 Intermediate Similarity NPC476966
0.7926 Intermediate Similarity NPC19028
0.7926 Intermediate Similarity NPC9674
0.7914 Intermediate Similarity NPC470882
0.7914 Intermediate Similarity NPC473265
0.7914 Intermediate Similarity NPC152091
0.7914 Intermediate Similarity NPC471356
0.7914 Intermediate Similarity NPC473253
0.7914 Intermediate Similarity NPC240070
0.7914 Intermediate Similarity NPC179412
0.7914 Intermediate Similarity NPC329784
0.7902 Intermediate Similarity NPC158350
0.7899 Intermediate Similarity NPC75856
0.7899 Intermediate Similarity NPC475194
0.7899 Intermediate Similarity NPC470922
0.7899 Intermediate Similarity NPC469379
0.7899 Intermediate Similarity NPC86346
0.7887 Intermediate Similarity NPC475487
0.7887 Intermediate Similarity NPC477709
0.7887 Intermediate Similarity NPC476221
0.7887 Intermediate Similarity NPC58029
0.7887 Intermediate Similarity NPC469673
0.7872 Intermediate Similarity NPC159338
0.7872 Intermediate Similarity NPC478065
0.7872 Intermediate Similarity NPC476863
0.7872 Intermediate Similarity NPC477197
0.7872 Intermediate Similarity NPC475167
0.7872 Intermediate Similarity NPC172374
0.7872 Intermediate Similarity NPC478064
0.7872 Intermediate Similarity NPC475377
0.7872 Intermediate Similarity NPC173435
0.7872 Intermediate Similarity NPC476855
0.7872 Intermediate Similarity NPC25998
0.7872 Intermediate Similarity NPC478155
0.7872 Intermediate Similarity NPC196921
0.7872 Intermediate Similarity NPC16569
0.7872 Intermediate Similarity NPC301639
0.7872 Intermediate Similarity NPC45346
0.7872 Intermediate Similarity NPC253456
0.7872 Intermediate Similarity NPC476862
0.7872 Intermediate Similarity NPC241008
0.7872 Intermediate Similarity NPC264566
0.7872 Intermediate Similarity NPC262796
0.7872 Intermediate Similarity NPC476074
0.7872 Intermediate Similarity NPC329993
0.7872 Intermediate Similarity NPC134914
0.7872 Intermediate Similarity NPC220757
0.7868 Intermediate Similarity NPC472004
0.7868 Intermediate Similarity NPC281840
0.7857 Intermediate Similarity NPC473888
0.7857 Intermediate Similarity NPC293623
0.7857 Intermediate Similarity NPC69273
0.7857 Intermediate Similarity NPC168899
0.7847 Intermediate Similarity NPC477236
0.7847 Intermediate Similarity NPC68282
0.7842 Intermediate Similarity NPC273962
0.7842 Intermediate Similarity NPC174367
0.7842 Intermediate Similarity NPC93368
0.7842 Intermediate Similarity NPC473635
0.7842 Intermediate Similarity NPC250556
0.7842 Intermediate Similarity NPC293112
0.7842 Intermediate Similarity NPC469750
0.7842 Intermediate Similarity NPC47113
0.7826 Intermediate Similarity NPC469382
0.7826 Intermediate Similarity NPC67251
0.782 Intermediate Similarity NPC477126
0.782 Intermediate Similarity NPC285086
0.7817 Intermediate Similarity NPC34963
0.7817 Intermediate Similarity NPC473485
0.7817 Intermediate Similarity NPC474508
0.7808 Intermediate Similarity NPC476825
0.7801 Intermediate Similarity NPC470913
0.7801 Intermediate Similarity NPC54614
0.7801 Intermediate Similarity NPC91
0.7801 Intermediate Similarity NPC125077
0.7801 Intermediate Similarity NPC232785

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475462 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
0.8058 Intermediate Similarity NPD7319 Approved
0.7986 Intermediate Similarity NPD7736 Approved
0.7883 Intermediate Similarity NPD6370 Approved
0.7842 Intermediate Similarity NPD7507 Approved
0.7786 Intermediate Similarity NPD8293 Discontinued
0.7786 Intermediate Similarity NPD7078 Approved
0.777 Intermediate Similarity NPD7492 Approved
0.7737 Intermediate Similarity NPD6054 Approved
0.7714 Intermediate Similarity NPD6616 Approved
0.7554 Intermediate Similarity NPD8033 Approved
0.7554 Intermediate Similarity NPD6016 Approved
0.7554 Intermediate Similarity NPD6015 Approved
0.7536 Intermediate Similarity NPD7516 Approved
0.75 Intermediate Similarity NPD5988 Approved
0.7482 Intermediate Similarity NPD6319 Approved
0.7482 Intermediate Similarity NPD6059 Approved
0.7464 Intermediate Similarity NPD7328 Approved
0.7464 Intermediate Similarity NPD7327 Approved
0.7429 Intermediate Similarity NPD8296 Approved
0.7429 Intermediate Similarity NPD8380 Approved
0.7429 Intermediate Similarity NPD8335 Approved
0.7429 Intermediate Similarity NPD8379 Approved
0.7429 Intermediate Similarity NPD8378 Approved
0.7357 Intermediate Similarity NPD8377 Approved
0.7357 Intermediate Similarity NPD8294 Approved
0.7324 Intermediate Similarity NPD8328 Phase 3
0.7305 Intermediate Similarity NPD7503 Approved
0.7266 Intermediate Similarity NPD7115 Discovery
0.7226 Intermediate Similarity NPD8297 Approved
0.7226 Intermediate Similarity NPD6882 Approved
0.7185 Intermediate Similarity NPD6686 Approved
0.7185 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD8133 Approved
0.7143 Intermediate Similarity NPD6009 Approved
0.7063 Intermediate Similarity NPD8513 Phase 3
0.7063 Intermediate Similarity NPD8516 Approved
0.7063 Intermediate Similarity NPD8515 Approved
0.7063 Intermediate Similarity NPD8517 Approved
0.7029 Intermediate Similarity NPD6650 Approved
0.7029 Intermediate Similarity NPD6649 Approved
0.7021 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6033 Approved
0.6934 Remote Similarity NPD6899 Approved
0.6934 Remote Similarity NPD6881 Approved
0.6929 Remote Similarity NPD4632 Approved
0.6906 Remote Similarity NPD8130 Phase 1
0.6884 Remote Similarity NPD6373 Approved
0.6884 Remote Similarity NPD6372 Approved
0.6866 Remote Similarity NPD1700 Approved
0.6861 Remote Similarity NPD5697 Approved
0.6849 Remote Similarity NPD7604 Phase 2
0.6835 Remote Similarity NPD7290 Approved
0.6835 Remote Similarity NPD4634 Approved
0.6835 Remote Similarity NPD6883 Approved
0.6835 Remote Similarity NPD7102 Approved
0.6812 Remote Similarity NPD7320 Approved
0.6788 Remote Similarity NPD5739 Approved
0.6788 Remote Similarity NPD6008 Approved
0.6788 Remote Similarity NPD6675 Approved
0.6788 Remote Similarity NPD7128 Approved
0.6788 Remote Similarity NPD6402 Approved
0.6786 Remote Similarity NPD6869 Approved
0.6786 Remote Similarity NPD6617 Approved
0.6786 Remote Similarity NPD6847 Approved
0.6763 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6014 Approved
0.6763 Remote Similarity NPD7799 Discontinued
0.6763 Remote Similarity NPD6012 Approved
0.6763 Remote Similarity NPD6013 Approved
0.6739 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6412 Phase 2
0.6738 Remote Similarity NPD6053 Discontinued
0.6714 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6712 Remote Similarity NPD6921 Approved
0.6712 Remote Similarity NPD5983 Phase 2
0.6691 Remote Similarity NPD6011 Approved
0.6644 Remote Similarity NPD6336 Discontinued
0.6619 Remote Similarity NPD5701 Approved
0.66 Remote Similarity NPD8074 Phase 3
0.6594 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6594 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4225 Approved
0.6579 Remote Similarity NPD5956 Approved
0.6569 Remote Similarity NPD5211 Phase 2
0.6549 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6544 Remote Similarity NPD7640 Approved
0.6544 Remote Similarity NPD7639 Approved
0.6525 Remote Similarity NPD8132 Clinical (unspecified phase)
0.65 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6479 Remote Similarity NPD6371 Approved
0.6475 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5141 Approved
0.6471 Remote Similarity NPD7638 Approved
0.6463 Remote Similarity NPD7100 Approved
0.6463 Remote Similarity NPD7101 Approved
0.6434 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6423 Remote Similarity NPD5286 Approved
0.6423 Remote Similarity NPD5285 Approved
0.6423 Remote Similarity NPD4696 Approved
0.64 Remote Similarity NPD6067 Discontinued
0.6395 Remote Similarity NPD6335 Approved
0.6377 Remote Similarity NPD5344 Discontinued
0.6376 Remote Similarity NPD6291 Clinical (unspecified phase)
0.637 Remote Similarity NPD6274 Approved
0.6331 Remote Similarity NPD5224 Approved
0.6331 Remote Similarity NPD5226 Approved
0.6331 Remote Similarity NPD4633 Approved
0.6331 Remote Similarity NPD5225 Approved
0.6329 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6317 Approved
0.6323 Remote Similarity NPD7260 Phase 2
0.6286 Remote Similarity NPD5175 Approved
0.6286 Remote Similarity NPD5174 Approved
0.6284 Remote Similarity NPD6313 Approved
0.6284 Remote Similarity NPD6314 Approved
0.628 Remote Similarity NPD7625 Phase 1
0.6277 Remote Similarity NPD6084 Phase 2
0.6277 Remote Similarity NPD4755 Approved
0.6277 Remote Similarity NPD6083 Phase 2
0.6259 Remote Similarity NPD5223 Approved
0.6224 Remote Similarity NPD4729 Approved
0.6224 Remote Similarity NPD4730 Approved
0.6188 Remote Similarity NPD6334 Approved
0.6188 Remote Similarity NPD6333 Approved
0.6187 Remote Similarity NPD4700 Approved
0.6184 Remote Similarity NPD7830 Approved
0.6184 Remote Similarity NPD7829 Approved
0.6178 Remote Similarity NPD6845 Suspended
0.6178 Remote Similarity NPD8338 Approved
0.6159 Remote Similarity NPD6909 Approved
0.6159 Remote Similarity NPD6908 Approved
0.6154 Remote Similarity NPD7685 Pre-registration
0.6141 Remote Similarity NPD8407 Phase 2
0.6138 Remote Similarity NPD5247 Approved
0.6138 Remote Similarity NPD5249 Phase 3
0.6138 Remote Similarity NPD5248 Approved
0.6138 Remote Similarity NPD5251 Approved
0.6138 Remote Similarity NPD5250 Approved
0.6127 Remote Similarity NPD5760 Phase 2
0.6127 Remote Similarity NPD5761 Phase 2
0.6118 Remote Similarity NPD8080 Discontinued
0.6115 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6115 Remote Similarity NPD5696 Approved
0.6108 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6099 Remote Similarity NPD7632 Discontinued
0.6084 Remote Similarity NPD4767 Approved
0.6084 Remote Similarity NPD4768 Approved
0.6078 Remote Similarity NPD7642 Approved
0.6074 Remote Similarity NPD46 Approved
0.6074 Remote Similarity NPD6698 Approved
0.6071 Remote Similarity NPD6648 Approved
0.6066 Remote Similarity NPD8368 Discontinued
0.6058 Remote Similarity NPD5282 Discontinued
0.604 Remote Similarity NPD6868 Approved
0.6014 Remote Similarity NPD5695 Phase 3
0.6014 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6 Remote Similarity NPD5128 Approved
0.5989 Remote Similarity NPD8434 Phase 2
0.5986 Remote Similarity NPD5215 Approved
0.5986 Remote Similarity NPD5216 Approved
0.5986 Remote Similarity NPD5217 Approved
0.5971 Remote Similarity NPD5221 Approved
0.5971 Remote Similarity NPD5222 Approved
0.5971 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5962 Remote Similarity NPD8448 Approved
0.5956 Remote Similarity NPD5785 Approved
0.5948 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5944 Remote Similarity NPD4754 Approved
0.5929 Remote Similarity NPD5173 Approved
0.5924 Remote Similarity NPD8336 Approved
0.5924 Remote Similarity NPD8337 Approved
0.5921 Remote Similarity NPD4522 Approved
0.5918 Remote Similarity NPD5135 Approved
0.5918 Remote Similarity NPD5169 Approved
0.5918 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5917 Remote Similarity NPD7236 Approved
0.5912 Remote Similarity NPD6079 Approved
0.5912 Remote Similarity NPD7637 Suspended
0.5912 Remote Similarity NPD7983 Approved
0.5912 Remote Similarity NPD5693 Phase 1
0.5912 Remote Similarity NPD8034 Phase 2
0.5912 Remote Similarity NPD8035 Phase 2
0.5899 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5899 Remote Similarity NPD5210 Approved
0.5899 Remote Similarity NPD4629 Approved
0.5897 Remote Similarity NPD8451 Approved
0.5878 Remote Similarity NPD5127 Approved
0.587 Remote Similarity NPD8171 Discontinued
0.587 Remote Similarity NPD6399 Phase 3
0.5864 Remote Similarity NPD7879 Clinical (unspecified phase)
0.5864 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5857 Remote Similarity NPD4697 Phase 3
0.5852 Remote Similarity NPD4251 Approved
0.5852 Remote Similarity NPD4250 Approved
0.5849 Remote Similarity NPD8391 Approved
0.5849 Remote Similarity NPD8390 Approved
0.5849 Remote Similarity NPD8392 Approved
0.5844 Remote Similarity NPD8268 Approved
0.5844 Remote Similarity NPD8269 Approved
0.5844 Remote Similarity NPD8266 Approved

Structure

External Identifiers

PubChem CID   44584063
ChEMBL   CHEMBL506084
ZINC  

Physicochemical Properties

Molecular Weight:  720.26
ALogP:  -2.5603
MLogP:  3.55
XLogP:  -0.683
# Rotatable Bonds:  20
Polar Surface Area:  215.34
# H-Bond Aceptor:  16
# H-Bond Donor:  3
# Rings:  8
# Heavy Atoms:  51

Download Data

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