Natural Product: NPC115284

Natural Product ID:  NPC115284
Common Name:   Fanchinin
IUPAC Name:  
Synonyms:   NSC-77037
Molecular Formula:   C38H42N2O6
Standard InCHIKey:  WVTKBKWTSCPRNU-KYJUHHDHSA-N
Standard InCHI:  InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
Canonical SMILES:  COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO24843 Pachygone dasycarpa Species Menispermaceae Eukaryota Stem barks PMID[9157192]
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota TM-MC*
NPO24372 Artemisia palustris Species Asteraceae Eukaryota UNPD*
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota TCMID*
NPO28111 Lathyrus aphaca Species Fabaceae Eukaryota UNPD*
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota UNPD*
NPO2690 Carapichea ipecacuanha Species Rubiaceae Eukaryota UNPD*
NPO1179 Anaxagorea luzonensis Species Annonaceae Eukaryota UNPD*
NPO22389 Phelipanche arenaria Species Orobanchaceae Eukaryota UNPD*
NPO18003 Leptolyngbya lurida Species Leptolyngbyaceae Bacteria UNPD*
NPO5783 Acronychia muelleri Species Rutaceae Eukaryota UNPD*
NPO12105 Chondrodendron microphyllum Species Menispermaceae Eukaryota UNPD*
NPO16804 Ruscus colchicus Species Asparagaceae Eukaryota UNPD*
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota HerDing*
NPO3148 Melianthus major Species Melianthaceae Eukaryota UNPD*
NPO755 Phoradendron reichenbachianum Species Viscaceae Eukaryota UNPD*
NPO15528 Cyclea peltata Species Menispermaceae Eukaryota UNPD*
NPO21826 Vulpicida juniperinus Species Parmeliaceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO19097 Asparagus umbellatus Species Asparagaceae Eukaryota UNPD*
NPO5377 Tapinoma erraticum Species Formicidae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota UNPD*
NPO12183 Argyreia nervosa Species Convolvulaceae Eukaryota UNPD*
NPO19640 Solanum cyananthum Species Solanaceae Eukaryota UNPD*
NPO12430 Erythrina chiriquensis Species Fabaceae Eukaryota UNPD*
NPO15367 Croton regelianus Species Euphorbiaceae Eukaryota UNPD*
NPO18271 Lucuma mammosa NA NA NA UNPD*
NPO2679 Dictyota bartayresiana Species Dictyotaceae Eukaryota UNPD*
NPO15557 Menispermi rhizoma NA NA NA TCMSP*
NPO4758 Radix stephaniae cepharanthae Species Lymnaeidae Eukaryota TCMSP*
NPO1736 Stephaniae tetrandrae radix NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO12663 Penicillium implicatum Species Aspergillaceae Eukaryota UNPD*
NPO13978 Cissampelos pareira Species Menispermaceae Eukaryota TM-MC*
NPO11802 Physeter catodon Species Physeteridae Eukaryota UNPD*
NPO12882 Clitocybe fasciculata Species Tricholomataceae Eukaryota UNPD*
NPO19375 Phellandrium aquaticum NA NA NA UNPD*
NPO1315 Sinomenium acutum Species Menispermaceae Eukaryota TM-MC*
NPO3849 Cyclea barbata Species Menispermaceae Eukaryota roots PMID[8289066]
NPO28230 Stemona japonica Species Stemonaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT517 Cell Line Panel NCI-60 (60 carcinoma cell lines) Homo sapiens GI50 = 10 nM 15743190
NPT2 Others Unspecified Ki = 73 nM 1955879
NPT168 Cell Line P388 Mus musculus ED50 = 0.4 ug/ml 8450318
NPT2 Others Unspecified ED50 = 2.1 ug/ml 8450318
NPT2 Others Unspecified ED50 = 3.7 ug/ml 8450318
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 0.179 ug/ml 8450318
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 0.16 ug/ml 8450318
NPT2 Others Unspecified Ki = 691.83 nM 12880313
NPT2 Others Unspecified Ki = 741.31 nM 12880313
NPT177 Tissue Aorta Rattus norvegicus IC50 = 29512.09 nM 12880313
NPT177 Tissue Aorta Rattus norvegicus IC50 = 13489.63 nM 12880313
NPT91 Cell Line KB Homo sapiens ED50 = 5800 nM 9917283
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 288 nM 9917283
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 257 nM 9917283
NPT2 Others Unspecified IC50 = 1480 nM 20708932
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 12589.3 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 23280.9 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 56234.1 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 707.9 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 22387.2 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6513.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19952.6 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 16353.5 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2078.7 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 23715 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 35481.3 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 5382.7 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 8203.52 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 77446.18 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 7925.01 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 8433.35 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 1794.73 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 17139.57 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 4931.74 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 7798.3 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 57147.86 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 99540.54 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 7870.46 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 20137.24 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 6095.37 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 4775.29 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 57279.6 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 9749.9 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 41209.75 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1566.75 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 7328.25 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 60534.09 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 7464.49 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 4698.94 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5308.84 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 5942.92 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 8375.29 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 35727.28 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 7655.97 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 53703.18 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 9036.49 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 17378.01 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 5636.38 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 19769.7 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 6606.93 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 6309.57 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 22908.68 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 2471.72 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 8413.95 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 12050.36 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 8241.38 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 7345.14 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 34753.62 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 6698.85 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 6606.93 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 26181.83 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 8090.96 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 260.02 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 10641.43 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 4436.09 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 2421.03 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 3296.1 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 1774.19 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 7726.81 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 7568.33 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 3801.89 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 1710.02 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 7194.49 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 43151.91 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 6546.36 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 4497.8 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 50466.13 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 7780.37 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 9594.01 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 74644.88 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 8053.78 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 8147.04 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 6426.88 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 82035.15 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 5902.01 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 7362.07 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 6714.29 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 45814.19 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 9527.96 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 3899.42 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 3515.6 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 3054.92 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 8933.05 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 1874.99 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 9204.5 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 49203.95 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 36224.3 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 3054.92 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 8629.79 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 30060.76 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 43052.66 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 9440.61 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 5794.29 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 43451.02 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 33036.95 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 3539.97 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 9289.66 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 2999.16 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 9705.1 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 5081.59 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 8147.04 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 2118.36 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 9418.9 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 7063.18 nM PubChem BioAssay data set
NPT466 Cell Line U-937 Homo sapiens FC = 0.9 22766217
NPT466 Cell Line U-937 Homo sapiens IC50 > 50000 nM 22766217
NPT466 Cell Line U-937 Homo sapiens Activity = 69 % 22766217
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Activity = 2.5 fold 9625436
NPT10 Individual Protein Geminin Homo sapiens Potency 58 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7079.5 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency 891.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 6513.1 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 15.48 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -1.1 % 23062825
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 25.16 ug/ml 10.1007/s00044-011-9767-1
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 10.51 ug/ml 10.1007/s00044-011-9767-1
NPT2 Others Unspecified Potency 2592.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8414.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14581 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2237.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5173.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6683.8 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4463.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5011.9 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 220.23 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 75.74 % 23571415
NPT2 Others Unspecified LC50 = 5010 nM 24183589
NPT2 Others Unspecified Ratio = 2.33 24183589
NPT2 Others Unspecified EC50 = 2150 nM 24183589
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2511.9 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC115284 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC317145
1.0 High Similarity NPC227060
1.0 High Similarity NPC198498
1.0 High Similarity NPC76682
1.0 High Similarity NPC10908
1.0 High Similarity NPC276890
1.0 High Similarity NPC317439
1.0 High Similarity NPC63646
0.9937 High Similarity NPC41376
0.9937 High Similarity NPC251580
0.9937 High Similarity NPC129518
0.9937 High Similarity NPC12424
0.9812 High Similarity NPC293093
0.9691 High Similarity NPC243454
0.9691 High Similarity NPC475479
0.9632 High Similarity NPC239584
0.9573 High Similarity NPC182052
0.9573 High Similarity NPC73492
0.9573 High Similarity NPC222661
0.9573 High Similarity NPC258657
0.9573 High Similarity NPC104196
0.9573 High Similarity NPC271013
0.9573 High Similarity NPC15414
0.9573 High Similarity NPC311973
0.9573 High Similarity NPC181796
0.9573 High Similarity NPC328155
0.9573 High Similarity NPC279228
0.9573 High Similarity NPC7715
0.9573 High Similarity NPC185639
0.9573 High Similarity NPC49075
0.9573 High Similarity NPC223690
0.9573 High Similarity NPC42663
0.9573 High Similarity NPC239824
0.9573 High Similarity NPC290582
0.9573 High Similarity NPC217748
0.9573 High Similarity NPC54654
0.9573 High Similarity NPC299990
0.9573 High Similarity NPC229373
0.9573 High Similarity NPC285931
0.9573 High Similarity NPC8836
0.9573 High Similarity NPC290005
0.9573 High Similarity NPC90998
0.9573 High Similarity NPC251735
0.9515 High Similarity NPC274716
0.9515 High Similarity NPC167116
0.9515 High Similarity NPC254441
0.9512 High Similarity NPC286119
0.9458 High Similarity NPC302245
0.9458 High Similarity NPC95426
0.9458 High Similarity NPC16357
0.9455 High Similarity NPC30779
0.9401 High Similarity NPC139783
0.9401 High Similarity NPC116465
0.9401 High Similarity NPC212237
0.9401 High Similarity NPC65312
0.9398 High Similarity NPC302275
0.9345 High Similarity NPC22115
0.9345 High Similarity NPC275680
0.9341 High Similarity NPC249996
0.9299 High Similarity NPC25084
0.9299 High Similarity NPC247639
0.929 High Similarity NPC48490
0.929 High Similarity NPC206900
0.929 High Similarity NPC82457
0.929 High Similarity NPC11296
0.929 High Similarity NPC175890
0.929 High Similarity NPC274661
0.929 High Similarity NPC281581
0.9277 High Similarity NPC195538
0.9235 High Similarity NPC475597
0.9235 High Similarity NPC191132
0.9235 High Similarity NPC473716
0.9235 High Similarity NPC60295
0.9222 High Similarity NPC476202
0.9181 High Similarity NPC24260
0.9172 High Similarity NPC14507
0.9172 High Similarity NPC47077
0.9128 High Similarity NPC256124
0.907 High Similarity NPC478093
0.903 High Similarity NPC10871
0.9017 High Similarity NPC30182
0.9017 High Similarity NPC473589
0.9017 High Similarity NPC478091
0.9017 High Similarity NPC478092
0.9012 High Similarity NPC475393
0.8908 High Similarity NPC85381
0.8902 High Similarity NPC264850
0.8902 High Similarity NPC268503
0.8902 High Similarity NPC42549
0.8902 High Similarity NPC256012
0.8902 High Similarity NPC250846
0.8902 High Similarity NPC318805
0.8902 High Similarity NPC41122
0.8902 High Similarity NPC240841
0.8902 High Similarity NPC317272
0.8902 High Similarity NPC13916
0.887 High Similarity NPC475654
0.8841 High Similarity NPC24465
0.8807 High Similarity NPC234318
0.8795 High Similarity NPC204908
0.8795 High Similarity NPC83198
0.879 High Similarity NPC210437
0.879 High Similarity NPC476144
0.879 High Similarity NPC106295
0.879 High Similarity NPC51957
0.879 High Similarity NPC16107
0.8734 High Similarity NPC7467
0.8722 High Similarity NPC254581
0.8642 High Similarity NPC123323
0.8639 High Similarity NPC190783
0.8639 High Similarity NPC232386
0.8639 High Similarity NPC152680
0.858 High Similarity NPC475215
0.858 High Similarity NPC108434
0.8535 High Similarity NPC136860
0.8535 High Similarity NPC128019
0.8535 High Similarity NPC476567
0.8424 Intermediate Similarity NPC476572
0.8415 Intermediate Similarity NPC249797
0.8415 Intermediate Similarity NPC295691
0.8415 Intermediate Similarity NPC127674
0.8415 Intermediate Similarity NPC469817
0.8415 Intermediate Similarity NPC325871
0.8415 Intermediate Similarity NPC276588
0.8415 Intermediate Similarity NPC99659
0.8415 Intermediate Similarity NPC2413
0.8415 Intermediate Similarity NPC138487
0.8415 Intermediate Similarity NPC278799
0.8415 Intermediate Similarity NPC5238
0.8415 Intermediate Similarity NPC184026
0.8415 Intermediate Similarity NPC204828
0.8415 Intermediate Similarity NPC216459
0.8415 Intermediate Similarity NPC54379
0.8415 Intermediate Similarity NPC207757
0.8415 Intermediate Similarity NPC193949
0.8415 Intermediate Similarity NPC110416
0.8415 Intermediate Similarity NPC39701
0.8415 Intermediate Similarity NPC172765
0.8415 Intermediate Similarity NPC189266
0.8415 Intermediate Similarity NPC41178
0.8408 Intermediate Similarity NPC213206
0.8408 Intermediate Similarity NPC188163
0.8408 Intermediate Similarity NPC328750
0.8408 Intermediate Similarity NPC474915
0.8402 Intermediate Similarity NPC204947
0.8364 Intermediate Similarity NPC146288
0.8363 Intermediate Similarity NPC19520
0.8363 Intermediate Similarity NPC149090
0.8363 Intermediate Similarity NPC239775
0.8344 Intermediate Similarity NPC314682
0.8333 Intermediate Similarity NPC92541
0.8323 Intermediate Similarity NPC230956
0.8323 Intermediate Similarity NPC271388
0.8323 Intermediate Similarity NPC235143
0.8323 Intermediate Similarity NPC119649
0.8323 Intermediate Similarity NPC205255
0.8304 Intermediate Similarity NPC118274
0.8304 Intermediate Similarity NPC168753
0.8303 Intermediate Similarity NPC244112
0.8303 Intermediate Similarity NPC187022
0.8303 Intermediate Similarity NPC80129
0.8286 Intermediate Similarity NPC257269
0.8286 Intermediate Similarity NPC230276
0.8274 Intermediate Similarity NPC80759
0.8274 Intermediate Similarity NPC79402
0.8263 Intermediate Similarity NPC221864
0.8263 Intermediate Similarity NPC7393
0.8253 Intermediate Similarity NPC234392
0.8253 Intermediate Similarity NPC31311
0.8232 Intermediate Similarity NPC326316
0.8232 Intermediate Similarity NPC81733
0.8229 Intermediate Similarity NPC119068
0.8229 Intermediate Similarity NPC40496
0.822 Intermediate Similarity NPC38964
0.821 Intermediate Similarity NPC476151
0.821 Intermediate Similarity NPC144863
0.8198 Intermediate Similarity NPC75958
0.8171 Intermediate Similarity NPC97221
0.8171 Intermediate Similarity NPC151895
0.8171 Intermediate Similarity NPC192768
0.8171 Intermediate Similarity NPC220858
0.8171 Intermediate Similarity NPC88249
0.8166 Intermediate Similarity NPC60186
0.8156 Intermediate Similarity NPC208890
0.8155 Intermediate Similarity NPC216816
0.8148 Intermediate Similarity NPC473934
0.8144 Intermediate Similarity NPC180756
0.8144 Intermediate Similarity NPC323443
0.8135 Intermediate Similarity NPC82056
0.8129 Intermediate Similarity NPC24264
0.8129 Intermediate Similarity NPC476432
0.8125 Intermediate Similarity NPC474507
0.8114 Intermediate Similarity NPC241704
0.811 Intermediate Similarity NPC103379
0.811 Intermediate Similarity NPC477565
0.8103 Intermediate Similarity NPC2314
0.8086 Intermediate Similarity NPC185838
0.8081 Intermediate Similarity NPC145832
0.8081 Intermediate Similarity NPC158376
0.8081 Intermediate Similarity NPC117188

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115284 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 NPD8252 Approved
1.0 High Similarity NPD8251 Approved
1.0 High Similarity NPD8099 Discontinued
0.9937 High Similarity NPD8156 Discontinued
0.9573 High Similarity NPD8054 Approved
0.9573 High Similarity NPD8053 Approved
0.892 High Similarity NPD8095 Phase 1
0.879 High Similarity NPD4584 Approved
0.8712 High Similarity NPD6788 Approved
0.8408 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.8303 Intermediate Similarity NPD7298 Approved
0.8232 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD4773 Phase 2
0.8133 Intermediate Similarity NPD4772 Phase 2
0.8033 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD1424 Approved
0.7987 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD6071 Discontinued
0.7914 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD6030 Approved
0.7892 Intermediate Similarity NPD6031 Approved
0.7866 Intermediate Similarity NPD7124 Phase 2
0.7816 Intermediate Similarity NPD3051 Approved
0.7803 Intermediate Similarity NPD5677 Discontinued
0.7803 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD7906 Approved
0.7798 Intermediate Similarity NPD4017 Approved
0.7791 Intermediate Similarity NPD7833 Phase 2
0.7791 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD7831 Phase 2
0.7784 Intermediate Similarity NPD3640 Phase 3
0.7784 Intermediate Similarity NPD3639 Approved
0.7784 Intermediate Similarity NPD3641 Approved
0.7759 Intermediate Similarity NPD7802 Discontinued
0.7759 Intermediate Similarity NPD6107 Approved
0.7727 Intermediate Similarity NPD4481 Phase 3
0.7688 Intermediate Similarity NPD4055 Discovery
0.7674 Intermediate Similarity NPD2563 Approved
0.7674 Intermediate Similarity NPD2560 Approved
0.7673 Intermediate Similarity NPD4475 Approved
0.7673 Intermediate Similarity NPD4474 Approved
0.767 Intermediate Similarity NPD2969 Approved
0.767 Intermediate Similarity NPD2970 Approved
0.7665 Intermediate Similarity NPD7447 Phase 1
0.7636 Intermediate Similarity NPD6748 Discontinued
0.7624 Intermediate Similarity NPD7549 Discontinued
0.761 Intermediate Similarity NPD5718 Phase 2
0.7605 Intermediate Similarity NPD7598 Phase 2
0.7595 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD2200 Suspended
0.7582 Intermediate Similarity NPD7313 Approved
0.7582 Intermediate Similarity NPD7312 Approved
0.7582 Intermediate Similarity NPD7311 Approved
0.7582 Intermediate Similarity NPD7310 Approved
0.7541 Intermediate Similarity NPD7309 Approved
0.753 Intermediate Similarity NPD7466 Approved
0.7528 Intermediate Similarity NPD27 Approved
0.7528 Intermediate Similarity NPD2489 Approved
0.7515 Intermediate Similarity NPD7045 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5005 Approved
0.75 Intermediate Similarity NPD7212 Phase 2
0.75 Intermediate Similarity NPD3124 Discontinued
0.75 Intermediate Similarity NPD5313 Approved
0.75 Intermediate Similarity NPD7213 Phase 3
0.75 Intermediate Similarity NPD5006 Approved
0.75 Intermediate Similarity NPD5312 Approved
0.7486 Intermediate Similarity NPD4577 Approved
0.7486 Intermediate Similarity NPD4578 Approved
0.7485 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD4663 Approved
0.7456 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD4675 Approved
0.7442 Intermediate Similarity NPD4678 Approved
0.7391 Intermediate Similarity NPD2968 Approved
0.7391 Intermediate Similarity NPD2971 Approved
0.7384 Intermediate Similarity NPD4005 Discontinued
0.7381 Intermediate Similarity NPD5241 Discontinued
0.7378 Intermediate Similarity NPD6895 Approved
0.7378 Intermediate Similarity NPD6111 Discontinued
0.7378 Intermediate Similarity NPD6896 Approved
0.7337 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6621 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD4010 Discontinued
0.7318 Intermediate Similarity NPD4166 Phase 2
0.7314 Intermediate Similarity NPD4585 Approved
0.7292 Intermediate Similarity NPD4420 Approved
0.7288 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD2973 Approved
0.724 Intermediate Similarity NPD2975 Approved
0.724 Intermediate Similarity NPD2974 Approved
0.7238 Intermediate Similarity NPD2898 Approved
0.7234 Intermediate Similarity NPD7291 Discontinued
0.7219 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD5773 Approved
0.7216 Intermediate Similarity NPD5772 Approved
0.7209 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD2420 Approved
0.7193 Intermediate Similarity NPD2421 Approved
0.7178 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD2122 Discontinued
0.7168 Intermediate Similarity NPD5976 Discontinued
0.7166 Intermediate Similarity NPD6851 Approved
0.7166 Intermediate Similarity NPD6853 Approved
0.716 Intermediate Similarity NPD5177 Phase 3
0.7159 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD4123 Phase 3
0.7151 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6297 Approved
0.7128 Intermediate Similarity NPD4580 Approved
0.7125 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD5089 Approved
0.7102 Intermediate Similarity NPD7110 Phase 1
0.7102 Intermediate Similarity NPD5090 Approved
0.7102 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD6072 Discontinued
0.7092 Intermediate Similarity NPD2494 Approved
0.7092 Intermediate Similarity NPD3452 Approved
0.7092 Intermediate Similarity NPD3450 Approved
0.7092 Intermediate Similarity NPD2493 Approved
0.7091 Intermediate Similarity NPD3109 Approved
0.7091 Intermediate Similarity NPD3110 Approved
0.7088 Intermediate Similarity NPD5242 Approved
0.7074 Intermediate Similarity NPD6618 Phase 2
0.7068 Intermediate Similarity NPD2490 Approved
0.7068 Intermediate Similarity NPD2488 Approved
0.7062 Intermediate Similarity NPD3384 Approved
0.7062 Intermediate Similarity NPD5720 Discontinued
0.7062 Intermediate Similarity NPD3383 Approved
0.7062 Intermediate Similarity NPD3382 Approved
0.7059 Intermediate Similarity NPD4236 Phase 3
0.7059 Intermediate Similarity NPD4237 Approved
0.7059 Intermediate Similarity NPD4162 Approved
0.7041 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD3845 Phase 1
0.7029 Intermediate Similarity NPD4210 Discontinued
0.7022 Intermediate Similarity NPD7046 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6997 Phase 2
0.7018 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5938 Phase 3
0.7011 Intermediate Similarity NPD6090 Discontinued
0.6995 Remote Similarity NPD6687 Approved
0.6995 Remote Similarity NPD6688 Approved
0.6994 Remote Similarity NPD5297 Approved
0.6994 Remote Similarity NPD7837 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6985 Remote Similarity NPD4582 Approved
0.6985 Remote Similarity NPD4583 Approved
0.6984 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6983 Remote Similarity NPD5978 Approved
0.6983 Remote Similarity NPD5977 Approved
0.6977 Remote Similarity NPD5160 Discontinued
0.6977 Remote Similarity NPD3692 Discontinued
0.6976 Remote Similarity NPD7047 Phase 3
0.6975 Remote Similarity NPD4098 Discontinued
0.6973 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6971 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4908 Phase 1
0.6937 Remote Similarity NPD8153 Approved
0.6937 Remote Similarity NPD8152 Approved
0.6936 Remote Similarity NPD6666 Approved
0.6936 Remote Similarity NPD6667 Approved
0.6935 Remote Similarity NPD42 Phase 2
0.6935 Remote Similarity NPD6042 Phase 2
0.6935 Remote Similarity NPD4004 Approved
0.6935 Remote Similarity NPD4002 Approved
0.6933 Remote Similarity NPD7905 Discontinued
0.6927 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5754 Discontinued
0.6919 Remote Similarity NPD3489 Phase 3
0.691 Remote Similarity NPD6386 Approved
0.691 Remote Similarity NPD6385 Approved
0.6907 Remote Similarity NPD7125 Discontinued
0.6906 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6902 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6357 Discontinued
0.6891 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6888 Remote Similarity NPD7034 Discontinued
0.6886 Remote Similarity NPD2238 Phase 2
0.6884 Remote Similarity NPD7590 Clinical (unspecified phase)
0.6882 Remote Similarity NPD1632 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2677 Approved
0.6867 Remote Similarity NPD4907 Clinical (unspecified phase)
0.686 Remote Similarity NPD44 Approved
0.686 Remote Similarity NPD3060 Approved
0.686 Remote Similarity NPD6364 Approved
0.6859 Remote Similarity NPD5087 Clinical (unspecified phase)
0.6854 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6876 Approved
0.6854 Remote Similarity NPD6875 Approved
0.6848 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5917 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3656 Approved

Structure

External Identifiers

PubChem CID   73078
ChEMBL   CHEMBL176045
ZINC  

Physicochemical Properties

Molecular Weight:  622.30
ALogP:  0.274
MLogP:  4.76
XLogP:  6.098
# Rotatable Bonds:  10
Polar Surface Area:  61.86
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  46

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