Natural Product: NPC71664

Natural Product ID:  NPC71664
Common Name:   Chalcone
IUPAC Name:   (E)-1,3-diphenylprop-2-en-1-one
Synonyms:   (E)-1,3-Diphenyl-propenone
Molecular Formula:   C15H12O
Standard InCHIKey:  DQFBYFPFKXHELB-VAWYXSNFSA-N
Standard InCHI:  InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
Canonical SMILES:  O=C(c1ccccc1)/C=C/c1ccccc1
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
NPO495 Daemonorops draco Species Arecaceae Eukaryota TCM_Taiwan*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens ED = 3.1 ug/ml 2362275
NPT3803 Individual Protein Tumor necrosis factor receptor R1 Homo sapiens IC50 = 23000 nM 15006393
NPT605 Organism Homo sapiens Homo sapiens IC50 = 6280 nM 8496911
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 20000 nM 9822551
NPT168 Cell Line P388 Mus musculus IC50 = 9630 nM 9544201
NPT137 Cell Line L1210 Mus musculus IC50 = 41400 nM 9544201
NPT605 Organism Homo sapiens Homo sapiens IC50 = 12700 nM 9544201
NPT605 Organism Homo sapiens Homo sapiens IC50 = 12500 nM 9544201
NPT3804 Cell Line Human Tumor Cell lines IC50 = 8320 nM 9544201
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.031 nM 9857096
NPT2 Others Unspecified Inhibition = 92.8 % 12467629
NPT2 Others Unspecified Inhibition = 94.4 % 12467629
NPT3805 Individual Protein Cyclooxygenase-1 Mus musculus IC50 = 22100 nM 15109651
NPT581 Individual Protein Cyclooxygenase-2 Mus musculus IC50 = 11200 nM 15109651
NPT3806 Individual Protein Arachidonate 5-lipoxygenase Mus musculus IC50 = 12200 nM 15109651
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6.7 ug/ml 16153842
NPT299 Individual Protein Androgen Receptor Rattus norvegicus IC50 = 64565.42 nM 16134935
NPT20 Organism Candida albicans Candida albicans MIC = 62.5 ug/ml 17007965
NPT20 Organism Candida albicans Candida albicans MIC = 125 ug/ml 17007965
NPT20 Organism Candida albicans Candida albicans IZ = 30 mm 17007965
NPT384 Cell Line TK-10 Homo sapiens Activity = 2 % 17383189
NPT83 Cell Line MCF7 Homo sapiens Activity = 19 % 17383189
NPT139 Cell Line HT-29 Homo sapiens Activity = 5 % 17383189
NPT384 Cell Line TK-10 Homo sapiens IC50 = 42000 nM 17383189
NPT83 Cell Line MCF7 Homo sapiens IC50 = 63000 nM 17383189
NPT139 Cell Line HT-29 Homo sapiens IC50 = 70000 nM 17383189
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Activity = 41.93 % 17276682
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Activity = 50.64 % 17276682
NPT1208 Organism Leishmania braziliensis Leishmania braziliensis IC50 = 13700 nM 17112640
NPT2 Others Unspecified IC50 > 50000 nM 18032041
NPT2 Others Unspecified Inhibition = 24.2 % 18032041
NPT1308 Tissue Blood Homo sapiens IC50 = 162560 nM 18053717
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 29 mm 18584918
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 125 ug/ml 18584918
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 40 ug/ml 18280009
NPT3807 Organism Pichia angusta Pichia angusta MIC = 30 ug/ml 18280009
NPT3807 Organism Pichia angusta Pichia angusta MIC < 20 ug/ml 18280009
NPT3807 Organism Pichia angusta Pichia angusta MIC = 25 ug/ml 18280009
NPT3807 Organism Pichia angusta Pichia angusta MIC = 20 ug/ml 18280009
NPT3807 Organism Pichia angusta Pichia angusta MIC > 40 ug/ml 18280009
NPT3808 Organism Kluyveromyces lactis Kluyveromyces lactis MIC < 20 ug/ml 18280009
NPT3808 Organism Kluyveromyces lactis Kluyveromyces lactis MIC = 25 ug/ml 18280009
NPT35 Others n.a. Activity = 7.1 ug/ml 18280009
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 1410 nM 19378991
NPT2 Others Unspecified Ratio IC50 > 14 19378991
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 1700 nM 18378360
NPT2 Others Unspecified Ratio IC50 > 29.41 18378360
NPT2 Others Unspecified IC50 = 10000 nM 19507860
NPT2 Others Unspecified IC50 > 20000 nM 19883086
NPT111 Cell Line K562 Homo sapiens IC50 = 3800 nM 19837593
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 4466.8 nM PubChem BioAssay data set
NPT2741 Individual Protein Pyruvate kinase Leishmania mexicana Potency = 15848.9 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency = 10000 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 28183.8 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 19952.6 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 35481.3 nM PubChem BioAssay data set
NPT2561 Individual Protein Triosephosphate isomerase, glycosomal Trypanosoma cruzi Inhibition = 33 % 20889239
NPT2 Others Unspecified Ratio > 4 20889239
NPT2 Others Unspecified IC50 > 20000 nM 21112783
NPT2 Others Unspecified IC50 = 7000000 nM 21349727
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = 100 % 21349727
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Inhibition = 0 % 21349727
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 4245 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 4194 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 14581 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens FC = 0.7 21539383
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens FC = 1.8 21539383
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 100000 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 2393.4 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 4073.8 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 4841.72 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 937.56 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 6576.58 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 3341.95 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 3784.43 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 4852.89 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1896.71 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 2009.09 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 2697.74 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29934.9 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 9549.93 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 8128.31 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 4830.59 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 6067.36 nM PubChem BioAssay data set
NPT2971 Individual Protein DNA dC->dU-editing enzyme APOBEC-3F Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Ratio = 0.78 22310230
NPT83 Cell Line MCF7 Homo sapiens Activity = 103 % 22239485
NPT83 Cell Line MCF7 Homo sapiens Activity = 115 % 22239485
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 253 mg/dl 22608392
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 0.473 ug/ml 22360533
NPT1460 Cell Line L929 Mus musculus IC50 = 6.92 ug/ml 22360533
NPT65 Cell Line HepG2 Homo sapiens Activity = 72 % 22658085
NPT65 Cell Line HepG2 Homo sapiens Activity = 95 % 22658085
NPT2 Others Unspecified Ratio IC50 > 7.78 22658085
NPT65 Cell Line HepG2 Homo sapiens IC50 > 100000 nM 22658085
NPT3535 Organism Entamoeba histolytica HM-1:IMSS Entamoeba histolytica HM-1:IMSS IC50 = 12860 nM 22658085
NPT65 Cell Line HepG2 Homo sapiens Activity = 40 % 22658085
NPT10 Individual Protein Geminin Homo sapiens Potency 6513.1 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT1 Others Radical scavenging activity Activity = 18.63 % 10.1007/s00044-010-9342-1
NPT2 Others Unspecified Activity = 42.43 % 10.1007/s00044-010-9342-1
NPT2 Others Unspecified Activity = 25.35 % 10.1007/s00044-010-9342-1
NPT2 Others Unspecified Activity = 32.6 % 10.1007/s00044-010-9342-1
NPT1328 Organism Culex quinquefasciatus Culex quinquefasciatus LC50 = 90 umol/dm3 10.1007/s00044-010-9305-6
NPT2914 Organism Xanthomonas oryzae Xanthomonas oryzae IZ = 0 mm 23229055
NPT2915 Organism Erwinia chrysanthemi Erwinia chrysanthemi IZ = 10 mm 23229055
NPT529 Organism Rhizoctonia solani Rhizoctonia solani LC50 = 2.49 ug/ml 23229055
NPT722 Organism Athelia rolfsii Athelia rolfsii LC50 = 674 ug/ml 23229055
NPT1 Others Radical scavenging activity Activity = 9.11 % 23229055
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 10 mm 23229055
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 5 mm 23229055
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae IZ = 0 mm 23229055
NPT2642 Organism Bacillus pumilus Bacillus pumilus IZ = 0 mm 23229055
NPT1261 Organism Bacillus thuringiensis Bacillus thuringiensis IZ = 0 mm 23229055
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14581 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 16360.1 nM PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens Activity > 50000 % 23524161
NPT165 Cell Line HeLa Homo sapiens EC50 > 50000 nM 23524161
NPT137 Cell Line L1210 Mus musculus IC50 > 100000 nM 23524161
NPT927 Cell Line PBMC Homo sapiens IC50 = 27000 nM 23524161
NPT15 Cell Line Jurkat Homo sapiens IC50 = 17100 nM 23524161
NPT2 Others Unspecified IC50 > 10000 nM 23524161
NPT2 Others Unspecified IC50 = 43000 nM 10.1007/s00044-013-0745-7
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus IC50 = 43000 nM 10.1007/s00044-013-0745-7
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Activity = 0.73 % 24169316
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 1412537.54 nM 24169316
NPT2 Others Unspecified FC = 1.9 24275249
NPT2 Others Unspecified EC50 = 11000 nM 24275249
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 69.9 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 1.3 ug/ml 24433962
NPT113 Cell Line RAW264.7 Mus musculus TC50 = 30.7 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 71.1 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 1.5 ug/ml 24433962
NPT2 Others Unspecified Inhibition = 90.6 % 24275249
NPT1045 Cell Line U2OS Homo sapiens Activity = 73.1 % 24275249
NPT2 Others Unspecified Inhibition = 69 % 24275249
NPT2 Others Unspecified Inhibition = 111.9 % 24275249
NPT2 Others Unspecified Inhibition = 101.5 % 24275249
NPT2 Others Unspecified Inhibition = 18.9 % 24275249
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 79.5 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 5.1 ug/ml 24433962
NPT113 Cell Line RAW264.7 Mus musculus TC50 = 28.1 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 83.5 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 5.7 ug/ml 24433962
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 = 87000 nM 24780600
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 3.05 25442312
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 0.33 25442312
NPT2 Others Unspecified Ratio = 1.33 25442312
NPT2 Others Unspecified Ratio = 1.2 25442312
NPT2 Others Unspecified IC50 = 43100 nM 25091929
NPT2 Others Unspecified IC50 = 23900 nM 25091929
NPT2 Others Unspecified IC50 = 55400 nM 25091929
NPT616 Cell Line MDCK Canis lupus familiaris Activity = 4 % 25442312
NPT2 Others Unspecified Ratio = 2.75 25442312
NPT2 Others Unspecified Ratio = 0.36 25442312
NPT1 Others Radical scavenging activity IC50 = 3139260000 nM 25278230
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio EC50 = 0.7 26055530
NPT634 Organism Leishmania amazonensis Leishmania amazonensis EC50 = 13200 nM 26055530
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 8890 nM 26055530
NPT2 Others Unspecified Ratio EC50 = 1.06 26055530
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 102640 nM 26055530
NPT2 Others Unspecified Ratio EC50 = 0.09 26055530
NPT2 Others Unspecified EC50 = 9500 nM 26055530
NPT2 Others Unspecified IC50 = 68.23 ug/ml 26188621
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC = 1.9 ug/ml 26188621
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC = 7.5 ug/ml 26188621
NPT2 Others Unspecified IC50 = 0.02 ug/ml 26188621
NPT2 Others Unspecified IC50 = 0.14 ug/ml 26188621
NPT3809 Individual Protein Pancreatic alpha-amylase Sus scrofa Ki = 48000 nM 26395057
NPT2818 Individual Protein Dihydrofolate reductase Homo sapiens IC50 > 100000 nM 26994844
NPT83 Cell Line MCF7 Homo sapiens GI50 = 12400 nM 26994844
NPT2 Others Unspecified GI50 = 15700 nM 26994844
NPT2 Others Unspecified IC50 = 10800 nM 26994844
NPT2 Others Unspecified IC50 = 46400 nM 26994844
NPT83 Cell Line MCF7 Homo sapiens LC50 = 30700 nM 26994844
NPT2 Others Unspecified LC50 = 22500 nM 26994844

  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 NPC71664 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
0.9867 High Similarity NPC273033
0.9867 High Similarity NPC12936
0.961 High Similarity NPC273758
0.9595 High Similarity NPC245966
0.9467 High Similarity NPC285470
0.9467 High Similarity NPC2785
0.9467 High Similarity NPC36342
0.9342 High Similarity NPC151405
0.9342 High Similarity NPC139901
0.9342 High Similarity NPC300205
0.9221 High Similarity NPC164086
0.9221 High Similarity NPC95868
0.9221 High Similarity NPC190567
0.9136 High Similarity NPC69057
0.9103 High Similarity NPC145053
0.9024 High Similarity NPC267262
0.8916 High Similarity NPC418308
0.8916 High Similarity NPC113307
0.8875 High Similarity NPC215008
0.8861 High Similarity NPC73978
0.8831 High Similarity NPC9796
0.881 High Similarity NPC19256
0.881 High Similarity NPC277277
0.88 High Similarity NPC285679
0.8675 High Similarity NPC43945
0.8667 High Similarity NPC74458
0.8642 High Similarity NPC324624
0.8608 High Similarity NPC272260
0.859 High Similarity NPC179726
0.8571 High Similarity NPC157778
0.8554 High Similarity NPC307
0.8554 High Similarity NPC160339
0.8506 High Similarity NPC289883
0.8471 Intermediate Similarity NPC325709
0.8462 Intermediate Similarity NPC78500
0.8434 Intermediate Similarity NPC123476
0.8415 Intermediate Similarity NPC197581
0.8415 Intermediate Similarity NPC39600
0.8409 Intermediate Similarity NPC472880
0.84 Intermediate Similarity NPC98880
0.8395 Intermediate Similarity NPC100039
0.8391 Intermediate Similarity NPC59677
0.8372 Intermediate Similarity NPC173413
0.8289 Intermediate Similarity NPC95289
0.8276 Intermediate Similarity NPC284475
0.8276 Intermediate Similarity NPC103346
0.8276 Intermediate Similarity NPC133461
0.8272 Intermediate Similarity NPC285716
0.8272 Intermediate Similarity NPC17408
0.8272 Intermediate Similarity NPC477703
0.8267 Intermediate Similarity NPC311343
0.825 Intermediate Similarity NPC137847
0.825 Intermediate Similarity NPC76455
0.8214 Intermediate Similarity NPC252067
0.8205 Intermediate Similarity NPC208075
0.8182 Intermediate Similarity NPC188844
0.8182 Intermediate Similarity NPC1682
0.8182 Intermediate Similarity NPC153885
0.8182 Intermediate Similarity NPC155232
0.8182 Intermediate Similarity NPC323420
0.814 Intermediate Similarity NPC473345
0.8132 Intermediate Similarity NPC49994
0.8125 Intermediate Similarity NPC329318
0.8111 Intermediate Similarity NPC185208
0.8111 Intermediate Similarity NPC219573
0.809 Intermediate Similarity NPC238219
0.8077 Intermediate Similarity NPC271437
0.8025 Intermediate Similarity NPC103488
0.8022 Intermediate Similarity NPC239185
0.8 Intermediate Similarity NPC260233
0.7976 Intermediate Similarity NPC149263
0.7957 Intermediate Similarity NPC472879
0.7935 Intermediate Similarity NPC134882
0.7931 Intermediate Similarity NPC153308
0.7912 Intermediate Similarity NPC12695
0.7889 Intermediate Similarity NPC34243
0.7889 Intermediate Similarity NPC246757
0.7889 Intermediate Similarity NPC261181
0.7889 Intermediate Similarity NPC291070
0.7865 Intermediate Similarity NPC110704
0.7826 Intermediate Similarity NPC240042
0.7826 Intermediate Similarity NPC265220
0.7789 Intermediate Similarity NPC329556
0.7766 Intermediate Similarity NPC109514
0.7766 Intermediate Similarity NPC476993
0.7753 Intermediate Similarity NPC110420
0.7753 Intermediate Similarity NPC303967
0.7753 Intermediate Similarity NPC58872
0.7753 Intermediate Similarity NPC67585
0.7742 Intermediate Similarity NPC75724
0.7727 Intermediate Similarity NPC477693
0.7727 Intermediate Similarity NPC477704
0.7722 Intermediate Similarity NPC326200
0.7708 Intermediate Similarity NPC249067
0.7701 Intermediate Similarity NPC164526
0.7692 Intermediate Similarity NPC16190
0.7692 Intermediate Similarity NPC169222
0.7692 Intermediate Similarity NPC235059
0.7683 Intermediate Similarity NPC298023
0.7667 Intermediate Similarity NPC476484
0.764 Intermediate Similarity NPC231591
0.7634 Intermediate Similarity NPC156021
0.7634 Intermediate Similarity NPC103048
0.7634 Intermediate Similarity NPC289201
0.7629 Intermediate Similarity NPC167336
0.7629 Intermediate Similarity NPC134120
0.7614 Intermediate Similarity NPC194326
0.7604 Intermediate Similarity NPC471829
0.7604 Intermediate Similarity NPC472691
0.7604 Intermediate Similarity NPC475939
0.7604 Intermediate Similarity NPC474866
0.7586 Intermediate Similarity NPC95965
0.7582 Intermediate Similarity NPC77273
0.7579 Intermediate Similarity NPC42211
0.7579 Intermediate Similarity NPC112552
0.75 Intermediate Similarity NPC244427
0.75 Intermediate Similarity NPC318107
0.75 Intermediate Similarity NPC222390
0.7475 Intermediate Similarity NPC141523
0.7475 Intermediate Similarity NPC203732
0.7474 Intermediate Similarity NPC118343
0.7473 Intermediate Similarity NPC187725
0.7473 Intermediate Similarity NPC141607
0.7467 Intermediate Similarity NPC246588
0.7444 Intermediate Similarity NPC298115
0.7444 Intermediate Similarity NPC9822
0.7432 Intermediate Similarity NPC36357
0.7432 Intermediate Similarity NPC114327
0.7423 Intermediate Similarity NPC247976
0.7423 Intermediate Similarity NPC274443
0.7423 Intermediate Similarity NPC255676
0.7412 Intermediate Similarity NPC157055
0.7412 Intermediate Similarity NPC127343
0.74 Intermediate Similarity NPC17525
0.7374 Intermediate Similarity NPC472699
0.7374 Intermediate Similarity NPC472700
0.7368 Intermediate Similarity NPC22786
0.7356 Intermediate Similarity NPC285773
0.7356 Intermediate Similarity NPC288903
0.7347 Intermediate Similarity NPC329282
0.732 Intermediate Similarity NPC25458
0.73 Intermediate Similarity NPC472695
0.73 Intermediate Similarity NPC211439
0.73 Intermediate Similarity NPC472696
0.73 Intermediate Similarity NPC472683
0.73 Intermediate Similarity NPC472701
0.7273 Intermediate Similarity NPC105899
0.7273 Intermediate Similarity NPC474910
0.7273 Intermediate Similarity NPC172483
0.7273 Intermediate Similarity NPC113670
0.7263 Intermediate Similarity NPC270654
0.7255 Intermediate Similarity NPC116842
0.7241 Intermediate Similarity NPC230068
0.7234 Intermediate Similarity NPC206764
0.7234 Intermediate Similarity NPC130398
0.7229 Intermediate Similarity NPC32203
0.7229 Intermediate Similarity NPC206800
0.7228 Intermediate Similarity NPC470252
0.72 Intermediate Similarity NPC100767
0.7191 Intermediate Similarity NPC294134
0.7188 Intermediate Similarity NPC145052
0.7188 Intermediate Similarity NPC229242
0.7188 Intermediate Similarity NPC317280
0.7188 Intermediate Similarity NPC329387
0.7184 Intermediate Similarity NPC268388
0.7184 Intermediate Similarity NPC186128
0.7179 Intermediate Similarity NPC291066
0.7174 Intermediate Similarity NPC62765
0.7172 Intermediate Similarity NPC114594
0.7162 Intermediate Similarity NPC198841
0.7159 Intermediate Similarity NPC243289
0.7159 Intermediate Similarity NPC44830
0.7159 Intermediate Similarity NPC208183
0.7143 Intermediate Similarity NPC320891
0.7143 Intermediate Similarity NPC200745
0.7143 Intermediate Similarity NPC71009
0.7129 Intermediate Similarity NPC470391
0.7126 Intermediate Similarity NPC71795
0.7113 Intermediate Similarity NPC325497
0.7113 Intermediate Similarity NPC476042
0.7113 Intermediate Similarity NPC217621
0.71 Intermediate Similarity NPC269457
0.71 Intermediate Similarity NPC209632
0.7087 Intermediate Similarity NPC265513
0.7083 Intermediate Similarity NPC253423
0.7083 Intermediate Similarity NPC249912
0.7083 Intermediate Similarity NPC276775
0.7083 Intermediate Similarity NPC92754
0.7073 Intermediate Similarity NPC155429
0.7071 Intermediate Similarity NPC474365
0.7071 Intermediate Similarity NPC301943
0.7067 Intermediate Similarity NPC65873
0.7067 Intermediate Similarity NPC212114
0.7067 Intermediate Similarity NPC300345
0.7067 Intermediate Similarity NPC120441
0.7059 Intermediate Similarity NPC318327
0.7059 Intermediate Similarity NPC192577
0.7059 Intermediate Similarity NPC3672
0.7059 Intermediate Similarity NPC287790
0.7053 Intermediate Similarity NPC172925

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71664 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
0.9867 High Similarity NPD942 Approved
0.9221 High Similarity NPD1507 Clinical (unspecified phase)
0.8675 High Similarity NPD650 Approved
0.8605 High Similarity NPD1508 Approved
0.8452 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.8315 Intermediate Similarity NPD1843 Approved
0.8276 Intermediate Similarity NPD7609 Phase 3
0.8182 Intermediate Similarity NPD7631 Approved
0.8022 Intermediate Similarity NPD3495 Discontinued
0.7889 Intermediate Similarity NPD1202 Approved
0.7872 Intermediate Similarity NPD1932 Approved
0.7789 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7789 Intermediate Similarity NPD1929 Approved
0.7789 Intermediate Similarity NPD1930 Approved
0.7708 Intermediate Similarity NPD1237 Approved
0.7634 Intermediate Similarity NPD1100 Approved
0.7634 Intermediate Similarity NPD1099 Approved
0.759 Intermediate Similarity NPD227 Approved
0.759 Intermediate Similarity NPD225 Approved
0.75 Intermediate Similarity NPD9257 Approved
0.75 Intermediate Similarity NPD2648 Phase 3
0.75 Intermediate Similarity NPD9490 Approved
0.75 Intermediate Similarity NPD2171 Approved
0.75 Intermediate Similarity NPD2193 Phase 2
0.75 Intermediate Similarity NPD9259 Approved
0.7474 Intermediate Similarity NPD1238 Approved
0.7474 Intermediate Similarity NPD2066 Phase 3
0.7419 Intermediate Similarity NPD4094 Approved
0.74 Intermediate Similarity NPD2329 Discontinued
0.7356 Intermediate Similarity NPD9491 Approved
0.7347 Intermediate Similarity NPD2577 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD226 Approved
0.732 Intermediate Similarity NPD2196 Discontinued
0.7312 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD1239 Approved
0.7273 Intermediate Similarity NPD675 Discontinued
0.7263 Intermediate Similarity NPD4657 Approved
0.7263 Intermediate Similarity NPD4655 Approved
0.7229 Intermediate Similarity NPD9716 Approved
0.7174 Intermediate Similarity NPD9258 Approved
0.7174 Intermediate Similarity NPD9256 Approved
0.7128 Intermediate Similarity NPD1563 Approved
0.71 Intermediate Similarity NPD2192 Approved
0.71 Intermediate Similarity NPD2197 Approved
0.71 Intermediate Similarity NPD1677 Discontinued
0.7053 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD1087 Approved
0.699 Remote Similarity NPD664 Approved
0.6979 Remote Similarity NPD1989 Approved
0.697 Remote Similarity NPD6024 Approved
0.697 Remote Similarity NPD6027 Approved
0.6966 Remote Similarity NPD3971 Phase 1
0.6923 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6907 Remote Similarity NPD1565 Approved
0.6907 Remote Similarity NPD1564 Approved
0.6907 Remote Similarity NPD1566 Phase 3
0.69 Remote Similarity NPD3357 Discontinued
0.6882 Remote Similarity NPD800 Approved
0.6875 Remote Similarity NPD1693 Approved
0.6875 Remote Similarity NPD9260 Approved
0.6857 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4793 Discontinued
0.6832 Remote Similarity NPD5909 Discontinued
0.6832 Remote Similarity NPD164 Approved
0.6827 Remote Similarity NPD1317 Discontinued
0.6809 Remote Similarity NPD1090 Approved
0.6809 Remote Similarity NPD1089 Approved
0.6809 Remote Similarity NPD1086 Approved
0.6804 Remote Similarity NPD5206 Clinical (unspecified phase)
0.68 Remote Similarity NPD813 Approved
0.6768 Remote Similarity NPD7798 Approved
0.6737 Remote Similarity NPD1007 Discontinued
0.6731 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5346 Phase 2
0.6702 Remote Similarity NPD5347 Phase 2
0.6667 Remote Similarity NPD1246 Approved
0.6667 Remote Similarity NPD5951 Approved
0.6667 Remote Similarity NPD1088 Approved
0.6636 Remote Similarity NPD7610 Discontinued
0.6632 Remote Similarity NPD3672 Approved
0.6632 Remote Similarity NPD3673 Approved
0.6607 Remote Similarity NPD2345 Approved
0.6607 Remote Similarity NPD5836 Discontinued
0.6604 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6577 Remote Similarity NPD7009 Phase 2
0.6574 Remote Similarity NPD1175 Approved
0.6571 Remote Similarity NPD2182 Approved
0.6569 Remote Similarity NPD9261 Approved
0.6549 Remote Similarity NPD4879 Approved
0.6543 Remote Similarity NPD173 Clinical (unspecified phase)
0.6514 Remote Similarity NPD1074 Approved
0.6514 Remote Similarity NPD1075 Approved
0.6514 Remote Similarity NPD1073 Approved
0.65 Remote Similarity NPD9495 Approved
0.6491 Remote Similarity NPD6287 Discontinued
0.6491 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6489 Remote Similarity NPD1282 Approved
0.646 Remote Similarity NPD1727 Approved
0.6452 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6435 Remote Similarity NPD4878 Approved
0.6435 Remote Similarity NPD3972 Approved
0.6429 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6422 Remote Similarity NPD1241 Discontinued
0.6408 Remote Similarity NPD6647 Phase 2
0.6404 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6396 Remote Similarity NPD405 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5159 Phase 2
0.6379 Remote Similarity NPD5157 Phase 1
0.6379 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6373 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6372 Remote Similarity NPD1245 Approved
0.6348 Remote Similarity NPD1201 Approved
0.6337 Remote Similarity NPD466 Approved
0.6337 Remote Similarity NPD5926 Approved
0.633 Remote Similarity NPD7094 Approved
0.633 Remote Similarity NPD6858 Approved
0.6325 Remote Similarity NPD1876 Approved
0.6325 Remote Similarity NPD1574 Approved
0.6321 Remote Similarity NPD9263 Approved
0.6321 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6321 Remote Similarity NPD9267 Approved
0.6321 Remote Similarity NPD9264 Approved
0.6316 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4733 Approved
0.6311 Remote Similarity NPD4803 Discontinued
0.6292 Remote Similarity NPD4144 Approved
0.6292 Remote Similarity NPD4147 Approved
0.6286 Remote Similarity NPD5048 Discontinued
0.6275 Remote Similarity NPD742 Approved
0.6271 Remote Similarity NPD1470 Approved
0.6271 Remote Similarity NPD1593 Approved
0.6262 Remote Similarity NPD74 Approved
0.6262 Remote Similarity NPD9266 Approved
0.6261 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6239 Remote Similarity NPD9508 Approved
0.6238 Remote Similarity NPD9566 Approved
0.6218 Remote Similarity NPD2798 Approved
0.6218 Remote Similarity NPD4980 Approved
0.6216 Remote Similarity NPD690 Clinical (unspecified phase)
0.62 Remote Similarity NPD6048 Clinical (unspecified phase)
0.62 Remote Similarity NPD6049 Phase 2
0.6186 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5277 Phase 2
0.6176 Remote Similarity NPD253 Approved
0.6174 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6161 Remote Similarity NPD1323 Discontinued
0.6161 Remote Similarity NPD1025 Discontinued
0.6154 Remote Similarity NPD1475 Approved
0.6154 Remote Similarity NPD3356 Approved
0.6154 Remote Similarity NPD3355 Approved
0.6134 Remote Similarity NPD1164 Approved
0.6132 Remote Similarity NPD1018 Approved
0.6126 Remote Similarity NPD7077 Approved
0.6126 Remote Similarity NPD7076 Approved
0.6121 Remote Similarity NPD1889 Phase 1
0.6117 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6106 Remote Similarity NPD9493 Approved
0.6092 Remote Similarity NPD294 Approved
0.6092 Remote Similarity NPD292 Approved
0.6087 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6087 Remote Similarity NPD3981 Approved
0.6087 Remote Similarity NPD3979 Approved
0.6087 Remote Similarity NPD3903 Approved
0.6087 Remote Similarity NPD1617 Discontinued
0.6087 Remote Similarity NPD3904 Approved
0.6071 Remote Similarity NPD1021 Approved
0.6071 Remote Similarity NPD1020 Approved
0.6071 Remote Similarity NPD2319 Discontinued
0.6071 Remote Similarity NPD1023 Approved
0.6071 Remote Similarity NPD1022 Approved
0.6071 Remote Similarity NPD851 Approved
0.6071 Remote Similarity NPD853 Approved
0.6066 Remote Similarity NPD6039 Approved
0.6058 Remote Similarity NPD5630 Phase 1
0.6055 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6055 Remote Similarity NPD2067 Discontinued
0.6053 Remote Similarity NPD2347 Approved
0.6053 Remote Similarity NPD997 Clinical (unspecified phase)
0.605 Remote Similarity NPD2056 Discontinued
0.605 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6047 Remote Similarity NPD1673 Approved
0.6023 Remote Similarity NPD9728 Phase 1
0.6022 Remote Similarity NPD3035 Approved
0.6022 Remote Similarity NPD4026 Approved
0.6022 Remote Similarity NPD4027 Approved
0.602 Remote Similarity NPD1629 Approved
0.602 Remote Similarity NPD689 Discontinued
0.602 Remote Similarity NPD1628 Approved
0.6017 Remote Similarity NPD1077 Clinical (unspecified phase)
0.6016 Remote Similarity NPD2313 Discontinued
0.6016 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6 Remote Similarity NPD1203 Approved
0.6 Remote Similarity NPD9545 Approved
0.6 Remote Similarity NPD5653 Discontinued
0.6 Remote Similarity NPD6588 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6832 Phase 2
0.5981 Remote Similarity NPD1766 Approved
0.5981 Remote Similarity NPD1761 Approved
0.5981 Remote Similarity NPD1767 Approved

Structure

External Identifiers

PubChem CID   637760
ChEMBL   CHEMBL7976
ZINC  

Physicochemical Properties

Molecular Weight:  208.09
ALogP:  0.0973
MLogP:  3
XLogP:  6.912
# Rotatable Bonds:  3
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs