Natural Product: NPC328267

Natural Product ID:  NPC328267
Common Name:   Fluoxetine
IUPAC Name:   N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Synonyms:   Fluoxetine; Prozac; Sarafem; Symbyax
Molecular Formula:   C17H18F3NO
Standard InCHIKey:  RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
Canonical SMILES:  CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
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
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.38 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.25 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 12.6 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 8.25 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -49.2 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -41.06 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -32.98 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -19.12 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.5 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 13.4 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 8.88 ug 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -56.73 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -48.4 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -42.74 % 11527716
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -31.69 % 11527716
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus IC50 = 15 nM 8487257
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 > 100 nM 8487257
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus IC50 > 100 nM 8487257
NPT1858 Individual Protein Dopamine D2 receptor Rattus norvegicus IC50 > 100 nM 8487257
NPT32 Organism Mus musculus Mus musculus ED50 = 4.96 mg/kg 8487257
NPT32 Organism Mus musculus Mus musculus ED50 = 7.47 mg/kg 8487257
NPT32 Organism Mus musculus Mus musculus ED50 = 2.69 mg/kg 8487257
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 22.13 nM 11859009
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.6 mg/kg 6970818
NPT295 Individual Protein Serotonin transporter Homo sapiens Kd = 0.81 nM 9871604
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Kd = 240 nM 9871604
NPT246 Individual Protein Dopamine transporter Homo sapiens Kd = 3600 nM 9871604
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 14 nM 9871604
NPT3986 Individual Protein Norepinephrine transporter Rattus norvegicus Ki = 143 nM 9871604
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki = 3050 nM 9871604
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus Ki = 2620 nM 10.1016/0960-894X(95)00398-D
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus Ki = 1920 nM 10.1016/0960-894X(95)00398-D
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 3.17 nM 10.1016/0960-894X(95)00398-D
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 3280 nM 10.1016/0960-894X(95)00398-D
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 308 nM 10.1016/0960-894X(95)00398-D
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 16200 nM 10.1016/0960-894X(95)00398-D
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 11.7 mg/kg 10.1016/0960-894X(95)00398-D
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 12.1 mg/kg 10.1016/0960-894X(95)00398-D
NPT5875 Individual Protein Dopamine transporter Mus musculus Ki > 2000 nM 2213832
NPT4313 Individual Protein Norepinephrine transporter Mus musculus Ki = 85 nM 2213832
NPT5875 Individual Protein Dopamine transporter Mus musculus Ki = 10.8 nM 2213832
NPT32 Organism Mus musculus Mus musculus ED50 = 0.43 mg/kg 2213832
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 12.7 mg/kg 2213832
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus Ki = 3981.07 nM 11262089
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus Ki = 5011.87 nM 11262089
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 10 nM 11262089
NPT3986 Individual Protein Norepinephrine transporter Rattus norvegicus Ki = 794.33 nM 11262089
NPT222 Individual Protein Alpha-2a adrenergic receptor Homo sapiens Ki = 6.31 nM 11262089
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 > 4500 nM 10737754
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki > 2500 nM 10737754
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 193 nM 10737754
NPT3986 Individual Protein Norepinephrine transporter Rattus norvegicus Ki = 176 nM 10737754
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 8.1 nM 10737754
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 7.3 nM 10737754
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 3.5 nM 10715164
NPT2 Others Unspecified Activity = 700 nM 10.1016/S0960-894X(01)80731-9
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Activity = 175 % 12873510
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Activity = 210 % 12873510
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 22.13 nM 10915050
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki = 48 nM 14643350
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki = 2000 nM 14643350
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki = 6000 nM 14643350
NPT1858 Individual Protein Dopamine D2 receptor Rattus norvegicus Inhibition = 12 % 3039136
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus Ki = 5260 nM 3039136
NPT1776 Protein Family Serotonin 1 (5-HT1) receptor Rattus norvegicus Inhibition = 13 % 3039136
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki > 1000 nM 3039136
NPT1776 Protein Family Serotonin 1 (5-HT1) receptor Rattus norvegicus IC50 = 15 nM 10.1016/S0960-894X(01)80986-0
NPT32 Organism Mus musculus Mus musculus ED50 = 7.47 mg/kg 10.1016/S0960-894X(01)80986-0
NPT32 Organism Mus musculus Mus musculus ED50 = 6.3 mg/kg 10.1016/S0960-894X(01)80986-0
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki > 2500 nM 11133081
NPT3986 Individual Protein Norepinephrine transporter Rattus norvegicus Ki = 176 nM 11133081
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 7.3 nM 11133081
NPT4790 Others Monoamine transporters; serotonin & dopamine Rattus norvegicus Ratio = 624 11133081
NPT5677 Others Monoamine transporters; Norepinephrine & serotonin Rattus norvegicus Ratio = 24 11133081
NPT98 Individual Protein HERG Homo sapiens IC50 = 1513.56 nM 12873512
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus IC50 = 130 nM 9357518
NPT296 Individual Protein Sigma opioid receptor Homo sapiens IC50 = 851.14 nM 7990111
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus IC50 = 6.31 nM 12372532
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 70 nM 3257267
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 > 10000 nM 3257267
NPT2 Others Unspecified Ratio > 143 3257267
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.72 nM 15239661
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 32.4 nM 15239661
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus Ki = 605 nM 15239661
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki = 4580 nM 11960503
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 7.3 nM 11960503
NPT3986 Individual Protein Norepinephrine transporter Rattus norvegicus Ki = 167 nM 11960503
NPT2 Others Unspecified Ratio = 627 11960503
NPT2 Others Unspecified Ratio = 0.04 11960503
NPT2 Others Unspecified Ratio = 23 11960503
NPT466 Cell Line U-937 Homo sapiens CC50 = 33300 nM 15267229
NPT188 Organism Candida parapsilosis Candida parapsilosis MFC = 64 ug/ml 15267229
NPT111 Cell Line K562 Homo sapiens CC50 = 25000 nM 15267229
NPT20 Organism Candida albicans Candida albicans MIC50 = 64 ug/ml 15267229
NPT20 Organism Candida albicans Candida albicans MIC90 = 128 ug/ml 15267229
NPT20 Organism Candida albicans Candida albicans MIC < 128 ug/ml 15267229
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC = 8 ug/ml 15267229
NPT20 Organism Candida albicans Candida albicans MFC50 = 128 ug/ml 15267229
NPT20 Organism Candida albicans Candida albicans MFC90 = 128 ug/ml 15267229
NPT20 Organism Candida albicans Candida albicans MFC < 128 ug/ml 15267229
NPT98 Individual Protein HERG Homo sapiens IC50 = 1513.56 nM 15911273
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 48 nM 16220969
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 2000 nM 16220969
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 6000 nM 16220969
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 0.72 nM 16162005
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 1900 nM 16162005
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 440 nM 16162005
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 160 % 16298130
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 39.4 nM 16854086
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 3.9 nM 16854086
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 4400 nM 16750363
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 5200 nM 16750363
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 16 nM 16750363
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 4400 nM 16750359
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 5200 nM 16750359
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 16 nM 16750359
NPT32 Organism Mus musculus Mus musculus Activity = 72 % 17343408
NPT32 Organism Mus musculus Mus musculus Activity = 80 % 17343408
NPT2 Others Unspecified IC50 = 858000 nM 17690258
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 8.7 nM 17376695
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.8 nM 17107798
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 2 nM 17107798
NPT987 Individual Protein Histamine H3 receptor Homo sapiens Ki = 7300 nM 17107798
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.9 nM 17616397
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 2.2 nM 17616397
NPT987 Individual Protein Histamine H3 receptor Homo sapiens Ki = 7300 nM 17616397
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.9 nM 17127059
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 2.2 nM 17127059
NPT987 Individual Protein Histamine H3 receptor Homo sapiens Ki = 7300 nM 17127059
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.9 nM 17307358
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 2.2 nM 17307358
NPT987 Individual Protein Histamine H3 receptor Homo sapiens Ki = 7300 nM 17307358
NPT32 Organism Mus musculus Mus musculus Activity = 16.67 % 17870537
NPT32 Organism Mus musculus Mus musculus Activity = 50 % 17870537
NPT32 Organism Mus musculus Mus musculus Activity = 100 % 17870537
NPT32 Organism Mus musculus Mus musculus Activity = 0 % 17870537
NPT32 Organism Mus musculus Mus musculus ED50 = 5090 umol/kg 17870537
NPT32 Organism Mus musculus Mus musculus ED50 > 12900 umol/kg 17870537
NPT32 Organism Mus musculus Mus musculus Ratio ED50 < 0.39 17870537
NPT2 Others Unspecified Activity = 13 % 18027916
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 > 10000 nM 18181565
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 180 nM 18181565
NPT32 Organism Mus musculus Mus musculus Activity = 59.5 % 18083580
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = -12 % 18033297
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = -11 % 18033297
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = -48 % 18033297
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 2000 nM 18667309
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 47 nM 18667309
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 6000 nM 18667309
NPT32 Organism Mus musculus Mus musculus Activity = 29.6 mg/kg 17826870
NPT32 Organism Mus musculus Mus musculus Activity = 14.2 mg/kg 17826870
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 6670 nM 19014888
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 1.1 nM 19014888
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 1560 nM 19014888
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 19500 nM 19014888
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 7 nM 19014888
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 1020 nM 19014888
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 48 nM 19038547
NPT1071 Individual Protein Transporter Rattus norvegicus Ki = 2000 nM 19038547
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus IC50 = 6000 nM 19038547
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 26.1 % 18429609
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition = 1 % 18429609
NPT98 Individual Protein HERG Homo sapiens IC50 = 1513.56 nM 18448342
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 25 ug/ml 18061311
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis MIC = 28 ug/ml 18061311
NPT20 Organism Candida albicans Candida albicans MIC = 50 ug/ml 18061311
NPT1155 Organism Sporothrix schenckii Sporothrix schenckii MIC = 50 ug/ml 18061311
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 50 ug/ml 18061311
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC = 50 ug/ml 18061311
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 20 % 19326942
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition > 50 % 8496700
NPT2 Others Unspecified Inhibition > 50 % 8496700
NPT251 Individual Protein Histamine H1 receptor Homo sapiens Inhibition > 50 % 8496700
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition > 50 % 8496700
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 2000 nM 18550369
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 47 nM 18550369
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 6000 nM 18550369
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.7 nM 18571421
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 18557608
NPT6184 Organism Arthrodermataceae Arthrodermataceae MIC = 45 ug/ml 18529046
NPT6184 Organism Arthrodermataceae Arthrodermataceae MIC50 = 32 ug/ml 18529046
NPT6184 Organism Arthrodermataceae Arthrodermataceae MIC90 = 64 ug/ml 18529046
NPT6184 Organism Arthrodermataceae Arthrodermataceae MFC = 64 ug/ml 18529046
NPT6184 Organism Arthrodermataceae Arthrodermataceae MFC50 = 64 ug/ml 18529046
NPT6184 Organism Arthrodermataceae Arthrodermataceae MFC90 = 64 ug/ml 18529046
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 3.9 nM 18834188
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 39.4 nM 18834188
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 563 nM 18771916
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 10 nM 18771916
NPT2 Others Unspecified Ratio IC50 = 0.02 18771916
NPT32 Organism Mus musculus Mus musculus Activity = 7485 cm 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 7970 cm 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 4.78 cm/s 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 6.24 cm/s 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 552.2 s 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 6.64 cm/s 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 558 s 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 5783 cm 19378992
NPT32 Organism Mus musculus Mus musculus Activity = 709.3 s 19378992
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 563 nM 19329313
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 10 nM 19329313
NPT2 Others Unspecified Ratio IC50 = 0.02 19329313
NPT32 Organism Mus musculus Mus musculus Activity = 50.7 % 16643032
NPT32 Organism Mus musculus Mus musculus Activity = 57.61 s 15787439
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 18951020
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 6670 nM 19256502
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 1.1 nM 19256502
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 1560 nM 19256502
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 19500 nM 19256502
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 7.3 nM 19256502
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 1020 nM 19256502
NPT425 Individual Protein Serotonin 3a (5-HT3a) receptor Homo sapiens Inhibition > 50 % 19144451
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 2.7 nM 19719241
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 19722525
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 19713106
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 19632110
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 2.5 nM 20034793
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 41 nM 20036131
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 20131864
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 20378347
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 20462211
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 130 nM 20053484
NPT32 Organism Mus musculus Mus musculus Activity = 69.48 % 20580232
NPT98 Individual Protein HERG Homo sapiens IC50 = 3100 nM 20637635
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus IC50 = 12.6 nM 20724153
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 3.1 nM 20724153
NPT32 Organism Mus musculus Mus musculus Activity = 146 % 20724153
NPT32 Organism Mus musculus Mus musculus Activity = 14.8 % 20724153
NPT32 Organism Mus musculus Mus musculus Inhibition = 60.3 % 20724153
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 1412.5 nM PubChem BioAssay data set
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 16360.1 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 58047.9 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 23280.9 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 18492.7 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 58047.9 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 26121.6 nM PubChem BioAssay data set
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 7000 nM 20547819
NPT2 Others Unspecified Ratio EC50 = 2.3 20547819
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 5.2 nM 21093273
NPT21 Organism Aspergillus niger Aspergillus niger MIC = 6.25 ug/ml 21194811
NPT21 Organism Aspergillus niger Aspergillus niger IZ = 10.5 mm 21194811
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC = 6.25 ug/ml 21194811
NPT185 Organism Aspergillus flavus Aspergillus flavus IZ = 11.5 mm 21194811
NPT2 Others Unspecified MIC = 6.25 ug/ml 21194811
NPT2 Others Unspecified IZ = 9 mm 21194811
NPT5368 Organism Penicillium citrinum Penicillium citrinum MIC = 6.25 ug/ml 21194811
NPT5368 Organism Penicillium citrinum Penicillium citrinum IZ = 8 mm 21194811
NPT98 Individual Protein HERG Homo sapiens IC50 = 457.09 nM 21185626
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 5.012 nM 21310612
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 707.9 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT628 Individual Protein Cytochrome P450 2C8 Homo sapiens Ki = 294000 nM 16248836
NPT32 Organism Mus musculus Mus musculus Activity = 45.1 % 21377878
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki = 1092 nM 21446715
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 12.2 nM 21446715
NPT2 Others Unspecified Ki = 120 nM 21446715
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus IC50 = 8300 nM 21469694
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 5.012 nM 21739935
NPT32 Organism Mus musculus Mus musculus Activity = 73.61 % 21696965
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 9.4 nM 21916421
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 1122 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 10621.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 7304.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6510.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT519 Cell Line SH-SY5Y Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT223 Individual Protein Alpha-2b adrenergic receptor Homo sapiens IC50 = 1528 nM DrugMatrix in vitro pharmacology data
NPT223 Individual Protein Alpha-2b adrenergic receptor Homo sapiens Ki = 698 nM DrugMatrix in vitro pharmacology data
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 1303 nM DrugMatrix in vitro pharmacology data
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 1292 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 827 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ki = 736 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 1126 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ki = 1095 nM DrugMatrix in vitro pharmacology data
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 700 nM DrugMatrix in vitro pharmacology data
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 3203 nM DrugMatrix in vitro pharmacology data
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ki = 771 nM DrugMatrix in vitro pharmacology data
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens IC50 = 3595 nM DrugMatrix in vitro pharmacology data
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens Ki = 762 nM DrugMatrix in vitro pharmacology data
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens IC50 = 1358 nM DrugMatrix in vitro pharmacology data
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens Ki = 976 nM DrugMatrix in vitro pharmacology data
NPT98 Individual Protein HERG Homo sapiens IC50 = 12286.4 nM DrugMatrix in vitro pharmacology data
NPT98 Individual Protein HERG Homo sapiens Ki = 10066 nM DrugMatrix in vitro pharmacology data
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens IC50 = 194 nM DrugMatrix in vitro pharmacology data
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 55 nM DrugMatrix in vitro pharmacology data
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens IC50 = 119 nM DrugMatrix in vitro pharmacology data
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 62 nM DrugMatrix in vitro pharmacology data
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens IC50 = 1661 nM DrugMatrix in vitro pharmacology data
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 771 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 0.51 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 0.271 nM DrugMatrix in vitro pharmacology data
NPT296 Individual Protein Sigma opioid receptor Homo sapiens IC50 = 499 nM DrugMatrix in vitro pharmacology data
NPT296 Individual Protein Sigma opioid receptor Homo sapiens Ki = 210 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 90 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ki = 82 nM DrugMatrix in vitro pharmacology data
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 14381.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 36125.4 nM PubChem BioAssay data set
NPT295 Individual Protein Serotonin transporter Homo sapiens EC50 = 2.7 nM 21927645
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Ratio IC50 > 5 22931300
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Ratio IC50 = 2 22931300
NPT433 Subcellular Liver microsomes Homo sapiens Activity = 0.015 nmol 22931300
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Ratio IC50 > 5 22931300
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Ratio IC50 = 2 22931300
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 23.5 % 12438524
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 115500 nM 12649369
NPT32 Organism Mus musculus Mus musculus Activity = 58.09 % 22982524
NPT10 Individual Protein Geminin Homo sapiens Potency 16788.9 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 22.6 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 14.3 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 21.8 % 22541068
NPT32 Organism Mus musculus Mus musculus Activity = 58.68 % 10.1007/s00044-011-9640-2
NPT32 Organism Mus musculus Mus musculus Inhibition = 39.36 % 10.1007/s00044-010-9357-7
NPT32 Organism Mus musculus Mus musculus Activity = 0 % 10.1007/s00044-007-9041-8
NPT32 Organism Mus musculus Mus musculus Activity = 78.49 % 10.1007/s00044-007-9041-8
NPT32 Organism Mus musculus Mus musculus Activity = 81.6 % 10.1007/s00044-004-0051-5
NPT32 Organism Mus musculus Mus musculus Activity = 100 % 10.1007/s00044-004-0051-5
NPT32 Organism Mus musculus Mus musculus Activity = 100 % 10.1007/s00044-004-0107-6
NPT32 Organism Mus musculus Mus musculus Activity = 72 % 10.1007/s00044-004-0107-6
NPT6185 Individual Protein Potassium voltage-gated channel subfamily C member 1 Rattus norvegicus IC50 = 13100 nM 23121096
NPT2 Others Unspecified Potency 11885.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23715 nM PubChem BioAssay data set
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 12.7 nM 23524160
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 98 nM 23602445
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 281.84 nM 23602445
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 1394 nM 23602445
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 6309.57 nM 23602445
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 3764 nM 23602445
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 9120.11 nM 23602445
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 1.4 nM 23403082
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 8.6 nM 23403082
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 6 % 23403082
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 7.2 nM 24012181
NPT246 Individual Protein Dopamine transporter Homo sapiens Inhibition = 31 % 24012181
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition = 56 % 24012181
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 89 % 24012181
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 77.22 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 55.32 % 23571415
NPT98 Individual Protein HERG Homo sapiens IC50 = 10 nM 23919353
NPT1071 Individual Protein Transporter Rattus norvegicus Ki = 158 nM 24315194
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 12.2 nM 24315194
NPT1073 Individual Protein Dopamine transporter Rattus norvegicus Ki = 1092 nM 24315194
NPT32 Organism Mus musculus Mus musculus Activity = 49.5 % 24412497
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21130 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3349.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25118.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 37575.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6681.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27815.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15089 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23708.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6682.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16784.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 595.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5308 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 19.7 % 24631187
NPT2 Others Unspecified Inhibition = 28.5 % 24631187
NPT71 Cell Line HEK293 Homo sapiens Inhibition = 55.8 % 24631187
NPT1072 Individual Protein Serotonin transporter Rattus norvegicus Ki = 5.6 nM 24717153
NPT438 Individual Protein Serotonin 2c (5-HT2c) receptor Rattus norvegicus Ki = 109 nM 24717153
NPT2 Others Unspecified Activity = 2.8 % 24915002
NPT2 Others Unspecified Activity = 19.7 % 24915002
NPT2 Others Unspecified Inhibition = 28.5 % 24915002
NPT71 Cell Line HEK293 Homo sapiens Inhibition = 55.8 % 24915002
NPT32 Organism Mus musculus Mus musculus Inhibition = 50.7 % 24915002
NPT32 Organism Mus musculus Mus musculus Activity = 66.4 % 24915002
NPT32 Organism Mus musculus Mus musculus Activity = 102 25442321
NPT32 Organism Mus musculus Mus musculus Inhibition = 39.4 % 25442321
NPT32 Organism Mus musculus Mus musculus Inhibition = 29 % 25442321
NPT32 Organism Mus musculus Mus musculus Inhibition = 69.82 % 25488839
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 44 % 24974340
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition = 5 % 24974340
NPT246 Individual Protein Dopamine transporter Homo sapiens Inhibition = 6 % 24974340
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 150 nM 24974340
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 4410 nM 24974340
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 18400 nM 24974340
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 89 % 24974340
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition = 56 % 24974340
NPT246 Individual Protein Dopamine transporter Homo sapiens Inhibition = 31 % 24974340
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 84 % 24974340
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Inhibition = 8 % 24974340
NPT246 Individual Protein Dopamine transporter Homo sapiens Inhibition = 5 % 24974340
NPT32 Organism Mus musculus Mus musculus Activity = 87.8 % 25127461
NPT32 Organism Mus musculus Mus musculus Activity = 74 % 25239852
NPT32 Organism Mus musculus Mus musculus Activity = 54 % 25239852
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 44 % 25221656
NPT295 Individual Protein Serotonin transporter Homo sapiens Inhibition = 5 % 25221656
NPT246 Individual Protein Dopamine transporter Homo sapiens Inhibition = 6 % 25221656
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 150 nM 25221656
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 4410 nM 25221656
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 18400 nM 25221656
NPT2 Others Unspecified Ratio IC50 = 29.4 25221656
NPT2 Others Unspecified Ratio IC50 = 122 25221656
NPT2719 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus IC50 = 2820 nM 22761000
NPT2 Others Unspecified Ratio = 31 21051535
NPT2 Others Unspecified Ratio = 0.4 21051535
NPT2 Others Unspecified Ratio = 0.6 21051535
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens Activity = 87 % 22328583
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens Activity = 44.3 % 22328583
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Inhibition = 36 % 21467212
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens Inhibition = 12 % 21467212
NPT627 Individual Protein Cytochrome P450 2B6 Homo sapiens Inhibition < 10 % 21467212
NPT628 Individual Protein Cytochrome P450 2C8 Homo sapiens Inhibition < 10 % 21467212
NPT619 Individual Protein Serum albumin Rattus norvegicus Kd = 36100 nM 21071520
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens IC50 > 50000 nM 23033255
NPT2 Others Unspecified Ratio = 1.3 21071520
NPT2 Others Unspecified Ratio = 39 21051535
NPT2 Others Unspecified Ratio = 20 21051535
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Inhibition < 10 % 21467212
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition < 10 % 21467212
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Inhibition < 10 % 21467212
NPT2 Others Unspecified AC50 12590 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 10682.2 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 13448.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16930.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3548.1 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens IC50 = 40 nM 26355532
NPT2691 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens IC50 = 5400 nM
NPT5559 Individual Protein Potassium channel subfamily K member 2 Homo sapiens Inhibition = 84 % 26588045
NPT5559 Individual Protein Potassium channel subfamily K member 2 Homo sapiens IC50 = 19000 nM 26588045
NPT5559 Individual Protein Potassium channel subfamily K member 2 Homo sapiens IC50 = 14000 nM 26588045
NPT6186 Individual Protein Potassium channel subfamily K member 9 Homo sapiens Inhibition = 31 % 26588045
NPT171 Cell Line MRC5 Homo sapiens CC50 = 11400 nM MMV Pathogen Box Bioactivity Data
NPT2 Others Unspecified CC50 = 16000 nM MMV Pathogen Box Bioactivity Data
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 5160 nM MMV Pathogen Box Bioactivity Data
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 3970 nM MMV Pathogen Box Bioactivity Data
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 1020 nM MMV Pathogen Box Bioactivity Data
NPT1021 Organism Leishmania infantum Leishmania infantum IC50 = 13630 nM MMV Pathogen Box Bioactivity Data

  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 NPC328267 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
0.8571 High Similarity NPC26524
0.8281 Intermediate Similarity NPC320242
0.8205 Intermediate Similarity NPC42383
0.8151 Intermediate Similarity NPC97811
0.8095 Intermediate Similarity NPC263835
0.8 Intermediate Similarity NPC136112
0.8 Intermediate Similarity NPC141739
0.7953 Intermediate Similarity NPC321133
0.7917 Intermediate Similarity NPC186469
0.791 Intermediate Similarity NPC247018
0.791 Intermediate Similarity NPC97870
0.791 Intermediate Similarity NPC307123
0.7907 Intermediate Similarity NPC298486
0.7883 Intermediate Similarity NPC318591
0.7883 Intermediate Similarity NPC231163
0.7846 Intermediate Similarity NPC255253
0.7752 Intermediate Similarity NPC318357
0.7734 Intermediate Similarity NPC256369
0.7734 Intermediate Similarity NPC43275
0.771 Intermediate Similarity NPC211218
0.771 Intermediate Similarity NPC217277
0.7661 Intermediate Similarity NPC21890
0.7652 Intermediate Similarity NPC62101
0.7652 Intermediate Similarity NPC95733
0.7627 Intermediate Similarity NPC471576
0.7603 Intermediate Similarity NPC470393
0.7594 Intermediate Similarity NPC29477
0.7578 Intermediate Similarity NPC120075
0.7541 Intermediate Similarity NPC326801
0.7521 Intermediate Similarity NPC108875
0.7521 Intermediate Similarity NPC38079
0.7518 Intermediate Similarity NPC189724
0.7518 Intermediate Similarity NPC212850
0.7518 Intermediate Similarity NPC83289
0.75 Intermediate Similarity NPC474272
0.7483 Intermediate Similarity NPC78530
0.7483 Intermediate Similarity NPC47672
0.7466 Intermediate Similarity NPC76412
0.7465 Intermediate Similarity NPC204546
0.7465 Intermediate Similarity NPC323204
0.7459 Intermediate Similarity NPC473855
0.745 Intermediate Similarity NPC233926
0.745 Intermediate Similarity NPC156311
0.7438 Intermediate Similarity NPC192596
0.7426 Intermediate Similarity NPC283079
0.7422 Intermediate Similarity NPC303370
0.7422 Intermediate Similarity NPC213
0.7422 Intermediate Similarity NPC10286
0.7414 Intermediate Similarity NPC321956
0.7407 Intermediate Similarity NPC218323
0.7398 Intermediate Similarity NPC113457
0.7388 Intermediate Similarity NPC272463
0.7383 Intermediate Similarity NPC203424
0.7383 Intermediate Similarity NPC206372
0.7381 Intermediate Similarity NPC166837
0.7372 Intermediate Similarity NPC262641
0.736 Intermediate Similarity NPC24777
0.7357 Intermediate Similarity NPC237227
0.7355 Intermediate Similarity NPC51633
0.7355 Intermediate Similarity NPC300166
0.7353 Intermediate Similarity NPC172403
0.7333 Intermediate Similarity NPC110131
0.7328 Intermediate Similarity NPC71853
0.7328 Intermediate Similarity NPC59561
0.7328 Intermediate Similarity NPC172253
0.731 Intermediate Similarity NPC247298
0.7288 Intermediate Similarity NPC471581
0.7279 Intermediate Similarity NPC301713
0.7273 Intermediate Similarity NPC316797
0.7266 Intermediate Similarity NPC471953
0.7266 Intermediate Similarity NPC118419
0.725 Intermediate Similarity NPC313918
0.725 Intermediate Similarity NPC95755
0.7241 Intermediate Similarity NPC259134
0.7241 Intermediate Similarity NPC8002
0.7241 Intermediate Similarity NPC99886
0.7241 Intermediate Similarity NPC177844
0.7239 Intermediate Similarity NPC471314
0.7239 Intermediate Similarity NPC471315
0.7236 Intermediate Similarity NPC241224
0.7214 Intermediate Similarity NPC160692
0.7211 Intermediate Similarity NPC245974
0.72 Intermediate Similarity NPC157473
0.72 Intermediate Similarity NPC151530
0.719 Intermediate Similarity NPC100870
0.7185 Intermediate Similarity NPC13020
0.7185 Intermediate Similarity NPC140359
0.7176 Intermediate Similarity NPC323948
0.7174 Intermediate Similarity NPC471321
0.7174 Intermediate Similarity NPC471306
0.7165 Intermediate Similarity NPC231251
0.7165 Intermediate Similarity NPC95977
0.7165 Intermediate Similarity NPC475852
0.7165 Intermediate Similarity NPC25067
0.7165 Intermediate Similarity NPC88868
0.7164 Intermediate Similarity NPC211992
0.7143 Intermediate Similarity NPC146530
0.7143 Intermediate Similarity NPC75440
0.7143 Intermediate Similarity NPC274732
0.7143 Intermediate Similarity NPC201959
0.7143 Intermediate Similarity NPC470392
0.7133 Intermediate Similarity NPC253429
0.7132 Intermediate Similarity NPC105513
0.7123 Intermediate Similarity NPC135349
0.712 Intermediate Similarity NPC92623
0.712 Intermediate Similarity NPC135464
0.712 Intermediate Similarity NPC176971
0.7113 Intermediate Similarity NPC11147
0.7111 Intermediate Similarity NPC150026
0.7111 Intermediate Similarity NPC71090
0.7111 Intermediate Similarity NPC36016
0.7111 Intermediate Similarity NPC100099
0.7111 Intermediate Similarity NPC261661
0.7109 Intermediate Similarity NPC266932
0.7107 Intermediate Similarity NPC470161
0.7101 Intermediate Similarity NPC251571
0.7097 Intermediate Similarity NPC283546
0.7095 Intermediate Similarity NPC296085
0.7092 Intermediate Similarity NPC325568
0.7092 Intermediate Similarity NPC266425
0.709 Intermediate Similarity NPC83279
0.7087 Intermediate Similarity NPC145638
0.7087 Intermediate Similarity NPC290566
0.7083 Intermediate Similarity NPC128877
0.7073 Intermediate Similarity NPC307425
0.7071 Intermediate Similarity NPC329595
0.7071 Intermediate Similarity NPC114102
0.7071 Intermediate Similarity NPC326599
0.7068 Intermediate Similarity NPC163036
0.7067 Intermediate Similarity NPC60538
0.7067 Intermediate Similarity NPC207824
0.7067 Intermediate Similarity NPC258222
0.7063 Intermediate Similarity NPC42793
0.7063 Intermediate Similarity NPC167944
0.7063 Intermediate Similarity NPC231884
0.7063 Intermediate Similarity NPC307682
0.7063 Intermediate Similarity NPC258171
0.7059 Intermediate Similarity NPC76465
0.7059 Intermediate Similarity NPC279379
0.7059 Intermediate Similarity NPC38761
0.7055 Intermediate Similarity NPC308571
0.705 Intermediate Similarity NPC155838
0.7049 Intermediate Similarity NPC125732
0.7045 Intermediate Similarity NPC137096
0.704 Intermediate Similarity NPC475269
0.704 Intermediate Similarity NPC128730
0.704 Intermediate Similarity NPC233396
0.704 Intermediate Similarity NPC154899
0.704 Intermediate Similarity NPC8302
0.704 Intermediate Similarity NPC473393
0.7037 Intermediate Similarity NPC290451
0.7037 Intermediate Similarity NPC127389
0.7032 Intermediate Similarity NPC22014
0.7031 Intermediate Similarity NPC46844
0.7027 Intermediate Similarity NPC313414
0.7023 Intermediate Similarity NPC51345
0.7021 Intermediate Similarity NPC214869
0.7015 Intermediate Similarity NPC17388
0.7015 Intermediate Similarity NPC53596
0.7015 Intermediate Similarity NPC41801
0.7015 Intermediate Similarity NPC160120
0.7015 Intermediate Similarity NPC471308
0.7015 Intermediate Similarity NPC289330
0.7014 Intermediate Similarity NPC160607
0.7014 Intermediate Similarity NPC193528
0.7014 Intermediate Similarity NPC14600
0.7014 Intermediate Similarity NPC312770
0.7014 Intermediate Similarity NPC204848
0.7014 Intermediate Similarity NPC474673
0.7014 Intermediate Similarity NPC41473
0.7008 Intermediate Similarity NPC291837
0.7008 Intermediate Similarity NPC309982
0.7007 Intermediate Similarity NPC109822
0.7007 Intermediate Similarity NPC106914
0.7007 Intermediate Similarity NPC48990
0.7007 Intermediate Similarity NPC94276
0.7007 Intermediate Similarity NPC246648
0.7007 Intermediate Similarity NPC86502
0.7007 Intermediate Similarity NPC256015
0.7007 Intermediate Similarity NPC197351
0.7007 Intermediate Similarity NPC134195
0.7007 Intermediate Similarity NPC294156
0.7007 Intermediate Similarity NPC114901
0.7007 Intermediate Similarity NPC293701
0.7 Intermediate Similarity NPC165106
0.7 Intermediate Similarity NPC195749
0.7 Intermediate Similarity NPC35961
0.7 Intermediate Similarity NPC35344
0.7 Intermediate Similarity NPC141003
0.7 Intermediate Similarity NPC52029
0.6993 Remote Similarity NPC477564
0.6993 Remote Similarity NPC2295
0.6992 Remote Similarity NPC289381
0.6992 Remote Similarity NPC107101
0.6992 Remote Similarity NPC155847
0.6992 Remote Similarity NPC474214
0.6984 Remote Similarity NPC326447
0.698 Remote Similarity NPC71629
0.698 Remote Similarity NPC473934
0.6978 Remote Similarity NPC291847

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328267 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
1.0 High Similarity NPD2429 Approved
1.0 High Similarity NPD2428 Approved
0.9322 High Similarity NPD2556 Approved
0.9322 High Similarity NPD2554 Approved
0.8917 High Similarity NPD3049 Approved
0.8672 High Similarity NPD3374 Clinical (unspecified phase)
0.8594 High Similarity NPD6179 Discontinued
0.8462 Intermediate Similarity NPD3532 Approved
0.8462 Intermediate Similarity NPD3531 Approved
0.8462 Intermediate Similarity NPD3530 Approved
0.845 Intermediate Similarity NPD5163 Phase 2
0.8409 Intermediate Similarity NPD3052 Approved
0.8409 Intermediate Similarity NPD3054 Approved
0.8385 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.8361 Intermediate Similarity NPD3596 Phase 2
0.8281 Intermediate Similarity NPD1817 Approved
0.8281 Intermediate Similarity NPD1819 Approved
0.8281 Intermediate Similarity NPD1820 Approved
0.8281 Intermediate Similarity NPD1818 Approved
0.8226 Intermediate Similarity NPD6580 Approved
0.8226 Intermediate Similarity NPD6581 Approved
0.8197 Intermediate Similarity NPD593 Approved
0.8197 Intermediate Similarity NPD595 Approved
0.8189 Intermediate Similarity NPD2231 Phase 2
0.8189 Intermediate Similarity NPD2235 Phase 2
0.8175 Intermediate Similarity NPD5061 Approved
0.8175 Intermediate Similarity NPD4162 Approved
0.8175 Intermediate Similarity NPD5062 Approved
0.8168 Intermediate Similarity NPD3165 Approved
0.8168 Intermediate Similarity NPD3166 Approved
0.8168 Intermediate Similarity NPD3164 Approved
0.8168 Intermediate Similarity NPD3167 Approved
0.816 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.813 Intermediate Similarity NPD2557 Approved
0.812 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.808 Intermediate Similarity NPD2486 Discontinued
0.8062 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD2458 Approved
0.8043 Intermediate Similarity NPD2460 Phase 3
0.8043 Intermediate Similarity NPD2459 Approved
0.803 Intermediate Similarity NPD3180 Approved
0.803 Intermediate Similarity NPD3179 Approved
0.8016 Intermediate Similarity NPD6382 Discontinued
0.8016 Intermediate Similarity NPD3444 Approved
0.8016 Intermediate Similarity NPD3443 Approved
0.8016 Intermediate Similarity NPD3445 Approved
0.8016 Intermediate Similarity NPD2595 Approved
0.8016 Intermediate Similarity NPD2594 Approved
0.8015 Intermediate Similarity NPD7425 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1794 Approved
0.8 Intermediate Similarity NPD4098 Discontinued
0.7955 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD2668 Approved
0.7953 Intermediate Similarity NPD2667 Approved
0.7939 Intermediate Similarity NPD3691 Phase 2
0.7939 Intermediate Similarity NPD3690 Phase 2
0.7939 Intermediate Similarity NPD7018 Phase 2
0.7914 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD1423 Approved
0.7899 Intermediate Similarity NPD5865 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD3294 Phase 2
0.7883 Intermediate Similarity NPD2154 Approved
0.7883 Intermediate Similarity NPD2156 Approved
0.7883 Intermediate Similarity NPD2155 Approved
0.7863 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7846 Intermediate Similarity NPD6583 Phase 3
0.7846 Intermediate Similarity NPD6540 Phase 3
0.7846 Intermediate Similarity NPD6543 Approved
0.7846 Intermediate Similarity NPD6539 Approved
0.7846 Intermediate Similarity NPD6542 Approved
0.7846 Intermediate Similarity NPD6582 Phase 2
0.7842 Intermediate Similarity NPD4598 Approved
0.7842 Intermediate Similarity NPD4597 Approved
0.7836 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD6541 Approved
0.7786 Intermediate Similarity NPD6538 Approved
0.7778 Intermediate Similarity NPD5500 Discontinued
0.7778 Intermediate Similarity NPD3162 Approved
0.7778 Intermediate Similarity NPD2245 Discovery
0.7778 Intermediate Similarity NPD3163 Approved
0.7762 Intermediate Similarity NPD3536 Discontinued
0.7762 Intermediate Similarity NPD2874 Phase 2
0.773 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD1336 Approved
0.7698 Intermediate Similarity NPD2239 Approved
0.7698 Intermediate Similarity NPD2240 Approved
0.7686 Intermediate Similarity NPD2559 Approved
0.7686 Intermediate Similarity NPD2551 Approved
0.768 Intermediate Similarity NPD594 Approved
0.768 Intermediate Similarity NPD592 Approved
0.7676 Intermediate Similarity NPD5160 Discontinued
0.7669 Intermediate Similarity NPD6584 Phase 3
0.7664 Intermediate Similarity NPD1341 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD3060 Approved
0.7647 Intermediate Similarity NPD4474 Approved
0.7647 Intermediate Similarity NPD4475 Approved
0.7634 Intermediate Similarity NPD2561 Approved
0.7634 Intermediate Similarity NPD2562 Approved
0.7626 Intermediate Similarity NPD2661 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD5373 Approved
0.7623 Intermediate Similarity NPD5374 Approved
0.7609 Intermediate Similarity NPD2653 Approved
0.7589 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD2614 Approved
0.7552 Intermediate Similarity NPD2677 Approved
0.7541 Intermediate Similarity NPD3526 Approved
0.7541 Intermediate Similarity NPD3524 Approved
0.7537 Intermediate Similarity NPD2990 Approved
0.7537 Intermediate Similarity NPD2987 Approved
0.7534 Intermediate Similarity NPD6031 Approved
0.7534 Intermediate Similarity NPD2901 Approved
0.7534 Intermediate Similarity NPD6030 Approved
0.7534 Intermediate Similarity NPD2900 Approved
0.7517 Intermediate Similarity NPD6419 Discontinued
0.7517 Intermediate Similarity NPD3985 Discontinued
0.75 Intermediate Similarity NPD3122 Phase 3
0.75 Intermediate Similarity NPD2232 Approved
0.75 Intermediate Similarity NPD5746 Approved
0.75 Intermediate Similarity NPD6380 Phase 1
0.75 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2230 Approved
0.75 Intermediate Similarity NPD2233 Approved
0.7482 Intermediate Similarity NPD2989 Phase 2
0.7482 Intermediate Similarity NPD2986 Phase 2
0.7464 Intermediate Similarity NPD3140 Approved
0.7464 Intermediate Similarity NPD3142 Approved
0.746 Intermediate Similarity NPD821 Approved
0.7447 Intermediate Similarity NPD3156 Discontinued
0.7444 Intermediate Similarity NPD3685 Discontinued
0.7444 Intermediate Similarity NPD4129 Approved
0.7442 Intermediate Similarity NPD16 Approved
0.7442 Intermediate Similarity NPD1102 Approved
0.7442 Intermediate Similarity NPD856 Approved
0.7442 Intermediate Similarity NPD1103 Approved
0.7432 Intermediate Similarity NPD6357 Discontinued
0.7424 Intermediate Similarity NPD3381 Discontinued
0.7419 Intermediate Similarity NPD2684 Approved
0.7407 Intermediate Similarity NPD558 Phase 2
0.74 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2504 Approved
0.7397 Intermediate Similarity NPD4662 Approved
0.7397 Intermediate Similarity NPD2505 Approved
0.7397 Intermediate Similarity NPD4661 Approved
0.7394 Intermediate Similarity NPD7030 Discontinued
0.7394 Intermediate Similarity NPD5085 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5745 Approved
0.7391 Intermediate Similarity NPD7265 Discontinued
0.7386 Intermediate Similarity NPD6315 Phase 2
0.7385 Intermediate Similarity NPD2106 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4179 Approved
0.7383 Intermediate Similarity NPD4180 Approved
0.736 Intermediate Similarity NPD550 Approved
0.736 Intermediate Similarity NPD551 Approved
0.7353 Intermediate Similarity NPD4993 Discontinued
0.7353 Intermediate Similarity NPD2407 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD455 Discontinued
0.7351 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD155 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD7045 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD2238 Phase 2
0.7338 Intermediate Similarity NPD6225 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3826 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3567 Approved
0.7333 Intermediate Similarity NPD3568 Approved
0.7329 Intermediate Similarity NPD6087 Phase 1
0.7329 Intermediate Similarity NPD7598 Phase 2
0.7323 Intermediate Similarity NPD5535 Approved
0.7319 Intermediate Similarity NPD7294 Phase 1
0.7319 Intermediate Similarity NPD5718 Phase 2
0.7313 Intermediate Similarity NPD1669 Approved
0.7308 Intermediate Similarity NPD318 Approved
0.7308 Intermediate Similarity NPD317 Approved
0.7297 Intermediate Similarity NPD5976 Discontinued
0.7292 Intermediate Similarity NPD6364 Approved
0.7292 Intermediate Similarity NPD44 Approved
0.7285 Intermediate Similarity NPD3384 Approved
0.7285 Intermediate Similarity NPD3382 Approved
0.7285 Intermediate Similarity NPD3383 Approved
0.7279 Intermediate Similarity NPD7905 Discontinued
0.7273 Intermediate Similarity NPD2555 Approved
0.7273 Intermediate Similarity NPD2550 Approved
0.7273 Intermediate Similarity NPD2558 Approved
0.7273 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2552 Approved
0.7273 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2553 Approved
0.7273 Intermediate Similarity NPD2549 Approved
0.7266 Intermediate Similarity NPD6407 Approved
0.7266 Intermediate Similarity NPD6405 Approved
0.7266 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD7477 Discontinued
0.7259 Intermediate Similarity NPD196 Phase 1
0.7248 Intermediate Similarity NPD3686 Approved
0.7248 Intermediate Similarity NPD3687 Approved
0.7244 Intermediate Similarity NPD4571 Approved
0.7244 Intermediate Similarity NPD4572 Approved
0.7244 Intermediate Similarity NPD4573 Approved
0.7241 Intermediate Similarity NPD6748 Discontinued

Structure

External Identifiers

PubChem CID   3386
ChEMBL   CHEMBL41
ZINC  

Physicochemical Properties

Molecular Weight:  309.13
ALogP:  0.2991
MLogP:  2.78
XLogP:  6.383
# Rotatable Bonds:  11
Polar Surface Area:  21.26
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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