Natural Product: NPC136330

Natural Product ID:  NPC136330
Common Name:   Piperine
IUPAC Name:   (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Synonyms:   Piperine
Molecular Formula:   C17H19NO3
Standard InCHIKey:  MXXWOMGUGJBKIW-YPCIICBESA-N
Standard InCHI:  InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Canonical SMILES:  O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
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
NPO964 Homalium laurifolium Species Salicaceae Eukaryota UNPD*
NPO12488 Bupleurum rigidum Species Apiaceae Eukaryota UNPD*
NPO9166 Monascus rubropunctatus Species Fellodistomidae Eukaryota UNPD*
NPO13059 Abies webbiana Species Pinaceae Eukaryota UNPD*
NPO10274 Pothomorphe peltata NA NA NA UNPD*
NPO3968 Dracontium loretense Species Araceae Eukaryota UNPD*
NPO26094 Stolonica socialis Species Styelidae Eukaryota UNPD*
NPO12383 Frullania brasiliensis Species Frullaniaceae Eukaryota UNPD*
NPO26195 Tephrosia crassifolia Species Geometridae Eukaryota UNPD*
NPO7158 Schefflera venulosa Species Araliaceae Eukaryota UNPD*
NPO6544 Carpesium longifolium Species Asteraceae Eukaryota UNPD*
NPO23642 Penicillium tardum Species Aspergillaceae Eukaryota UNPD*
NPO4251 Photorhabdus luminescens Species Morganellaceae Bacteria UNPD*
NPO230 Palisota barteri Species Commelinaceae Eukaryota UNPD*
NPO11137 Dichotomanthes tristaniicarpa Species Rosaceae Eukaryota UNPD*
NPO6428 Euphorbia wangii Species Euphorbiaceae Eukaryota UNPD*
NPO6648 Piper retrofractum Species Piperaceae Eukaryota UNPD*
NPO2393 Matsumurella chinensis Species Lamiaceae Eukaryota UNPD*
NPO16302 Piper guineense Species Piperaceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood serum PMID[25518943]
NPO11511 Cochlearia officinalis Species Brassicaceae Eukaryota UNPD*
NPO26237 Piper longum Species Piperaceae Eukaryota TCM_Taiwan*
NPO28938 Artemisia coerulescens Species Asteraceae Eukaryota UNPD*
NPO26872 Piper betle Species Piperaceae Eukaryota DOI[10.1016/S0031-9422(98)00208-8]
NPO12125 Pseudomonas stutzeri Species Pseudomonadaceae Bacteria UNPD*
NPO28928 Piper nigrum Species Piperaceae Eukaryota PMID[10575373]
NPO28928 Piper nigrum Species Piperaceae Eukaryota PMID[23102654]
NPO30351 Piper khasianum Species Piperaceae Eukaryota DOI[10.1016/S0031-9422(98)00208-8]
NPO26237 Piper longum Species Piperaceae Eukaryota PMID[23434420]
NPO27487 Silene banksia Species Caryophyllaceae Eukaryota UNPD*
NPO876 Didymosphaeria enalia Species Didymosphaeriaceae Eukaryota UNPD*
NPO10666 Verbesina virginica Species Asteraceae Eukaryota UNPD*
NPO8639 Agaricus xanthodermus Species Agaricaceae Eukaryota UNPD*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO6880 Crocus corsicus Species Iridaceae Eukaryota UNPD*
NPO26237 Piper longum Species Piperaceae Eukaryota TM-MC*
NPO7536 Mycoplasma mycoides Species Mycoplasmataceae Bacteria UNPD*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO2840 Podocarpus minor Species Podocarpaceae Eukaryota UNPD*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TM-MC*
NPO10459 Brickellia longifolia Species Asteraceae Eukaryota UNPD*
NPO43 Leifsonia aquatica Species Microbacteriaceae Bacteria UNPD*
NPO9950 Coelogyne nitida Species Orchidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT317 Uncleic Acid Nucleic Acid Inhibition = 27 % 10.1016/0960-894X(95)00272-U
NPT317 Uncleic Acid Nucleic Acid Inhibition = 47 % 10.1016/0960-894X(95)00272-U
NPT317 Uncleic Acid Nucleic Acid Inhibition = 57 % 10.1016/0960-894X(95)00272-U
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 7360 nM 15177472
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 4910 nM 15177472
NPT32 Organism Mus musculus Mus musculus Inhibition = 0.3 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 50.7 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 96.1 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 23.2 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 51.1 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 94.3 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 23 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 46 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 68 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 15.7 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = 9.2 % 18289853
NPT32 Organism Mus musculus Mus musculus Inhibition = -2.2 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 72.4 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 76.1 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 84.3 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 40.6 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 36.5 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Activity = 29.2 % 18289853
NPT1460 Cell Line L929 Mus musculus Activity = 64 % 18289853
NPT1460 Cell Line L929 Mus musculus Activity = 66.2 % 18289853
NPT1460 Cell Line L929 Mus musculus Activity = 92.2 % 18289853
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 7310 nM 18226906
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 4910 nM 18226906
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -1.2 % 18477507
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -3.9 % 18477507
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -14.2 % 18477507
NPT991 Individual Protein Trypanothione reductase Trypanosoma cruzi Inhibition = 11 % 18558492
NPT2 Others Unspecified MIC = 2 ug/ml 18524600
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 2 18848780
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus MIC > 100 ug/ml 19523722
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 2 19523722
NPT1460 Cell Line L929 Mus musculus Inhibition = 22 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = -9 % 19775895
NPT2 Others Unspecified Inhibition = 2 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = 82 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 2 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = 10 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 68 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 46 % 19775895
NPT2 Others Unspecified Inhibition = 49 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 9 % 19775895
NPT2 Others Unspecified Inhibition = 11 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = 17 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 23 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 6 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = -2.2 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 0.3 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 9.2 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus IC50 = 12000 nM 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 15.7 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 23.2 % 19775895
NPT1460 Cell Line L929 Mus musculus IC50 = 42000 nM 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 50.7 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 51.1 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 94.3 % 19775895
NPT32 Organism Mus musculus Mus musculus Inhibition = 96.1 % 19775895
NPT1488 Individual Protein Monoamine oxidase A Rattus norvegicus Ki = 49300 nM 19969454
NPT1487 Individual Protein Monoamine oxidase B Rattus norvegicus Ki = 91300 nM 19969454
NPT892 Individual Protein Monoamine oxidase A Mus musculus Ki = 19000 nM 19969454
NPT893 Individual Protein Monoamine oxidase B Mus musculus Ki = 3190 nM 19969454
NPT1460 Cell Line L929 Mus musculus Inhibition = 5.5 % 20159656
NPT1460 Cell Line L929 Mus musculus Inhibition = 5.3 % 20159656
NPT1460 Cell Line L929 Mus musculus Inhibition = 10.6 % 20159656
NPT1460 Cell Line L929 Mus musculus Inhibition = 41.8 % 20159656
NPT2 Others Unspecified Activity = 226 % 20085307
NPT2 Others Unspecified Activity = 302 % 20085307
NPT2 Others Unspecified EC50 = 52000 nM 20085307
NPT2 Others Unspecified Activity = 334 % 20085307
NPT2 Others Unspecified Activity = 204 % 20085307
NPT2 Others Unspecified Activity = 391 % 20085307
NPT2 Others Unspecified IC50 = 1200000 nM 20085307
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 3162.28 nM 20381363
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 752000 nM 20546981
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 2558000 nM 20546981
NPT927 Cell Line PBMC Homo sapiens Activity = 7 % 20546981
NPT927 Cell Line PBMC Homo sapiens Activity = 10 % 20546981
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 5000 nM 20185316
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 0.01 nM 16408004
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 2 20605275
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 5623.4 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 39810.7 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 44668.4 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 11577.4 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 10318.3 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 7375.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4653.5 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 8492.1 nM PubChem BioAssay data set
NPT1488 Individual Protein Monoamine oxidase A Rattus norvegicus IC50 = 404 nM 22475561
NPT1487 Individual Protein Monoamine oxidase B Rattus norvegicus IC50 = 260 nM 22475561
NPT2 Others Unspecified Ratio IC50 = 1.55 22475561
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 15500 nM 12130727
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 74100 nM 12130727
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 7079.5 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -0.1 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 16.77 % 23062825
NPT589 Individual Protein Serum albumin Bos taurus Activity = 50 % 23102654
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 483 nM 23102654
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 58980 nM 23102654
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 10.1007/s00044-010-9500-5
NPT306 Cell Line PC-3 Homo sapiens IC50 > 50000 nM 10.1007/s00044-010-9500-5
NPT1171 Cell Line HEp-2 Homo sapiens IC50 = 70000 nM 10.1007/s00044-010-9500-5
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 46000 nM 10.1007/s00044-010-9500-5
NPT83 Cell Line MCF7 Homo sapiens IC50 = 99000 nM 10.1007/s00044-010-9500-5
NPT744 Cell Line IMR-32 Homo sapiens IC50 = 89000 nM 10.1007/s00044-010-9500-5
NPT2564 Organism Blumeria graminis Blumeria graminis Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT829 Organism Puccinia recondita Puccinia recondita Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT825 Organism Phytophthora infestans Phytophthora infestans Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea Activity = 0 % 10.1016/S0261-2194(00)00172-1
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 233000 nM 10.1007/s00044-008-9161-9
NPT1381 Organism Aedes aegypti Aedes aegypti LD50 = 8.13 ug 22069667
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 100 ug/ml 10.1007/s00044-013-0541-4
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 300 ug/ml 10.1007/s00044-013-0541-4
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 500 ug/ml 10.1007/s00044-013-0541-4
NPT3152 Organism Shigella dysenteriae Shigella dysenteriae MIC = 600 ug/ml 10.1007/s00044-013-0541-4
NPT1242 Organism Salmonella typhi Salmonella enterica subsp. enterica serovar Typhi MIC = 200 ug/ml 10.1007/s00044-013-0541-4
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 200 ug/ml 10.1007/s00044-013-0541-4
NPT19 Organism Escherichia coli Escherichia coli MIC = 300 ug/ml 10.1007/s00044-013-0541-4
NPT83 Cell Line MCF7 Homo sapiens IC50 = 990 nM 10.1007/s00044-013-0541-4
NPT165 Cell Line HeLa Homo sapiens IC50 = 950 nM 10.1007/s00044-013-0541-4
NPT1547 Individual Protein Cathepsin D Homo sapiens IC50 = 42300 nM 10.1007/s00044-012-0397-z
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 58.45 ug/ml 10.1007/s00044-012-0397-z
NPT2 Others Unspecified Ratio CC50/IC50 = 16.8 23434420
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 140000 nM 23434420
NPT2 Others Unspecified Ratio CC50/IC50 = 15.7 23434420
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 150000 nM 23434420
NPT2 Others Unspecified CC50 = 2350000 nM 23434420
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 186.17 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 97.82 % 23571415
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 55068.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 8634.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2736.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3857.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1371.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55068.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68729.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1737.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 77115.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38649.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 15355.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43742.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1368.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 612.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 865.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2169 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 2433.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38900 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61254.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 9708.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 771.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 6932.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1933.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10892.8 nM PubChem BioAssay data set
NPT737 Cell Line HUVEC Homo sapiens IC50 = 100000 nM 10.1039/C2MD20216F
NPT737 Cell Line HUVEC Homo sapiens Activity = 98 % 10.1039/C2MD20216F
NPT1007 Protein Complex GABA-A receptor; alpha-1/beta-2/gamma-2 Homo sapiens EC50 = 52400 nM 24905252
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.676 ml 25596479
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.67 ml 25596479
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 53.69 % 25596479
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 54.72 % 25596479
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 49.67 % 25596479
NPT2 Others Unspecified Potency 6932.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9771.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3864.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3063.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8652.5 nM PubChem BioAssay data set
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus MIC = 4 ug/ml 10.1039/C4MD00196F
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 2 10.1039/C4MD00196F
NPT2 Others Unspecified MIC = 32 ug/ml 10.1039/C4MD00196F
NPT2 Others Unspecified FC = 0 10.1039/C4MD00196F
NPT2 Others Unspecified MIC = 64 ug/ml 10.1039/C4MD00196F
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus MIC = 256 ug/ml 10.1039/C4MD00196F
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus FC = 0 10.1039/C4MD00196F
NPT634 Organism Leishmania amazonensis Leishmania amazonensis IC50 = 14500 nM 26094119

  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 NPC136330 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 NPC230698
1.0 High Similarity NPC73883
1.0 High Similarity NPC196609
1.0 High Similarity NPC277042
1.0 High Similarity NPC255817
1.0 High Similarity NPC205178
1.0 High Similarity NPC251454
0.9922 High Similarity NPC99078
0.9921 High Similarity NPC167096
0.9845 High Similarity NPC252107
0.9845 High Similarity NPC220923
0.9845 High Similarity NPC470707
0.9462 High Similarity NPC103947
0.9462 High Similarity NPC94280
0.9462 High Similarity NPC45783
0.9462 High Similarity NPC159150
0.9462 High Similarity NPC193673
0.9462 High Similarity NPC328419
0.9389 High Similarity NPC96406
0.9389 High Similarity NPC180647
0.9318 High Similarity NPC145446
0.9318 High Similarity NPC137172
0.9308 High Similarity NPC217574
0.9248 High Similarity NPC225745
0.9248 High Similarity NPC248505
0.9248 High Similarity NPC95366
0.9173 High Similarity NPC469808
0.9015 High Similarity NPC318862
0.8881 High Similarity NPC471073
0.8881 High Similarity NPC270811
0.8824 High Similarity NPC194359
0.8824 High Similarity NPC28641
0.8759 High Similarity NPC231572
0.8714 High Similarity NPC244338
0.8521 High Similarity NPC469978
0.8503 High Similarity NPC169742
0.8345 Intermediate Similarity NPC416184
0.8311 Intermediate Similarity NPC470708
0.8288 Intermediate Similarity NPC470088
0.8286 Intermediate Similarity NPC113236
0.8286 Intermediate Similarity NPC214036
0.8235 Intermediate Similarity NPC231198
0.8214 Intermediate Similarity NPC7018
0.8168 Intermediate Similarity NPC69670
0.8108 Intermediate Similarity NPC223125
0.8077 Intermediate Similarity NPC111225
0.806 Intermediate Similarity NPC256167
0.8043 Intermediate Similarity NPC470706
0.8015 Intermediate Similarity NPC199209
0.8015 Intermediate Similarity NPC212643
0.8 Intermediate Similarity NPC223124
0.7985 Intermediate Similarity NPC114845
0.7974 Intermediate Similarity NPC106786
0.7973 Intermediate Similarity NPC475959
0.7956 Intermediate Similarity NPC251466
0.7956 Intermediate Similarity NPC218323
0.7935 Intermediate Similarity NPC59567
0.7929 Intermediate Similarity NPC118419
0.7899 Intermediate Similarity NPC172403
0.7895 Intermediate Similarity NPC57501
0.7883 Intermediate Similarity NPC170583
0.7883 Intermediate Similarity NPC71105
0.7883 Intermediate Similarity NPC152186
0.7883 Intermediate Similarity NPC182147
0.7883 Intermediate Similarity NPC207541
0.7883 Intermediate Similarity NPC246133
0.7848 Intermediate Similarity NPC241055
0.7842 Intermediate Similarity NPC469977
0.7826 Intermediate Similarity NPC156944
0.7817 Intermediate Similarity NPC473463
0.7812 Intermediate Similarity NPC127326
0.781 Intermediate Similarity NPC300955
0.7786 Intermediate Similarity NPC160193
0.777 Intermediate Similarity NPC157740
0.777 Intermediate Similarity NPC191302
0.777 Intermediate Similarity NPC64948
0.777 Intermediate Similarity NPC41331
0.777 Intermediate Similarity NPC291449
0.777 Intermediate Similarity NPC99798
0.7763 Intermediate Similarity NPC148898
0.7762 Intermediate Similarity NPC11147
0.7752 Intermediate Similarity NPC31279
0.7721 Intermediate Similarity NPC193484
0.7714 Intermediate Similarity NPC147247
0.7714 Intermediate Similarity NPC246974
0.7697 Intermediate Similarity NPC119669
0.7692 Intermediate Similarity NPC284855
0.7692 Intermediate Similarity NPC282477
0.7662 Intermediate Similarity NPC41178
0.7662 Intermediate Similarity NPC76079
0.7662 Intermediate Similarity NPC138487
0.7662 Intermediate Similarity NPC78733
0.7662 Intermediate Similarity NPC93593
0.7662 Intermediate Similarity NPC216459
0.7658 Intermediate Similarity NPC306669
0.7658 Intermediate Similarity NPC168409
0.7655 Intermediate Similarity NPC193528
0.7651 Intermediate Similarity NPC145304
0.7647 Intermediate Similarity NPC233029
0.7647 Intermediate Similarity NPC210148
0.7626 Intermediate Similarity NPC85830
0.7622 Intermediate Similarity NPC266425
0.7616 Intermediate Similarity NPC37144
0.7616 Intermediate Similarity NPC59907
0.7613 Intermediate Similarity NPC31311
0.7613 Intermediate Similarity NPC234392
0.7613 Intermediate Similarity NPC146288
0.7605 Intermediate Similarity NPC471650
0.759 Intermediate Similarity NPC116007
0.7582 Intermediate Similarity NPC476579
0.7582 Intermediate Similarity NPC474852
0.7574 Intermediate Similarity NPC344161
0.7556 Intermediate Similarity NPC277460
0.7551 Intermediate Similarity NPC314682
0.7537 Intermediate Similarity NPC268317
0.7536 Intermediate Similarity NPC298486
0.7534 Intermediate Similarity NPC254610
0.7517 Intermediate Similarity NPC475828
0.7516 Intermediate Similarity NPC329640
0.75 Intermediate Similarity NPC213206
0.75 Intermediate Similarity NPC477259
0.75 Intermediate Similarity NPC169387
0.75 Intermediate Similarity NPC328750
0.75 Intermediate Similarity NPC474915
0.75 Intermediate Similarity NPC188163
0.7485 Intermediate Similarity NPC83511
0.7485 Intermediate Similarity NPC4669
0.7483 Intermediate Similarity NPC477694
0.7483 Intermediate Similarity NPC477705
0.7481 Intermediate Similarity NPC280001
0.7481 Intermediate Similarity NPC185738
0.7481 Intermediate Similarity NPC179309
0.7468 Intermediate Similarity NPC215829
0.7468 Intermediate Similarity NPC306902
0.7468 Intermediate Similarity NPC85747
0.7468 Intermediate Similarity NPC97072
0.7468 Intermediate Similarity NPC8337
0.7468 Intermediate Similarity NPC160298
0.7468 Intermediate Similarity NPC266753
0.7468 Intermediate Similarity NPC477559
0.7468 Intermediate Similarity NPC232924
0.7464 Intermediate Similarity NPC80241
0.7464 Intermediate Similarity NPC301641
0.7451 Intermediate Similarity NPC211296
0.7434 Intermediate Similarity NPC95075
0.7434 Intermediate Similarity NPC253883
0.7434 Intermediate Similarity NPC90844
0.7431 Intermediate Similarity NPC477706
0.7425 Intermediate Similarity NPC102760
0.7423 Intermediate Similarity NPC303581
0.7423 Intermediate Similarity NPC67978
0.7419 Intermediate Similarity NPC476580
0.7417 Intermediate Similarity NPC130926
0.7407 Intermediate Similarity NPC86469
0.7405 Intermediate Similarity NPC118804
0.7405 Intermediate Similarity NPC477080
0.7405 Intermediate Similarity NPC111485
0.7394 Intermediate Similarity NPC286683
0.7391 Intermediate Similarity NPC471877
0.7388 Intermediate Similarity NPC294941
0.7379 Intermediate Similarity NPC160692
0.7376 Intermediate Similarity NPC120066
0.7358 Intermediate Similarity NPC135006
0.7358 Intermediate Similarity NPC26353
0.7357 Intermediate Similarity NPC249788
0.7353 Intermediate Similarity NPC120075
0.7353 Intermediate Similarity NPC33271
0.7347 Intermediate Similarity NPC42793
0.7347 Intermediate Similarity NPC301050
0.7347 Intermediate Similarity NPC307682
0.7347 Intermediate Similarity NPC231884
0.7347 Intermediate Similarity NPC167944
0.7347 Intermediate Similarity NPC131204
0.7346 Intermediate Similarity NPC474324
0.7346 Intermediate Similarity NPC57812
0.7338 Intermediate Similarity NPC469540
0.7338 Intermediate Similarity NPC219162
0.7338 Intermediate Similarity NPC469539
0.7333 Intermediate Similarity NPC181905
0.7333 Intermediate Similarity NPC308267
0.7333 Intermediate Similarity NPC138438
0.7333 Intermediate Similarity NPC908
0.7329 Intermediate Similarity NPC232514
0.7329 Intermediate Similarity NPC276944
0.7329 Intermediate Similarity NPC238530
0.7329 Intermediate Similarity NPC35345
0.7329 Intermediate Similarity NPC225774
0.7324 Intermediate Similarity NPC301713
0.7315 Intermediate Similarity NPC226005
0.7305 Intermediate Similarity NPC27887
0.7303 Intermediate Similarity NPC185838
0.7301 Intermediate Similarity NPC475845
0.7297 Intermediate Similarity NPC253429
0.7297 Intermediate Similarity NPC230968
0.7297 Intermediate Similarity NPC102260
0.7292 Intermediate Similarity NPC200555
0.7292 Intermediate Similarity NPC476748
0.7292 Intermediate Similarity NPC196026
0.7285 Intermediate Similarity NPC136860
0.7285 Intermediate Similarity NPC128019

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136330 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 NPD2492 Phase 1
0.8462 Intermediate Similarity NPD5297 Approved
0.8014 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5718 Phase 2
0.7823 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD3885 Approved
0.7582 Intermediate Similarity NPD824 Approved
0.7535 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7110 Phase 1
0.7481 Intermediate Similarity NPD5536 Phase 2
0.7468 Intermediate Similarity NPD5604 Discontinued
0.7452 Intermediate Similarity NPD5977 Approved
0.7452 Intermediate Similarity NPD5978 Approved
0.7451 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4210 Discontinued
0.7372 Intermediate Similarity NPD1357 Approved
0.7347 Intermediate Similarity NPD6895 Approved
0.7347 Intermediate Similarity NPD6896 Approved
0.7347 Intermediate Similarity NPD743 Approved
0.7333 Intermediate Similarity NPD4237 Approved
0.7333 Intermediate Similarity NPD4236 Phase 3
0.7325 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD4166 Phase 2
0.7279 Intermediate Similarity NPD2653 Approved
0.7262 Intermediate Similarity NPD7280 Phase 3
0.7262 Intermediate Similarity NPD7281 Phase 3
0.7261 Intermediate Similarity NPD6873 Phase 2
0.7261 Intermediate Similarity NPD6385 Approved
0.7261 Intermediate Similarity NPD6386 Approved
0.726 Intermediate Similarity NPD3142 Approved
0.726 Intermediate Similarity NPD3140 Approved
0.7234 Intermediate Similarity NPD1420 Approved
0.7234 Intermediate Similarity NPD1421 Approved
0.7226 Intermediate Similarity NPD3640 Phase 3
0.7226 Intermediate Similarity NPD3641 Approved
0.7226 Intermediate Similarity NPD3639 Approved
0.7214 Intermediate Similarity NPD3705 Approved
0.7208 Intermediate Similarity NPD3146 Approved
0.7208 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD4584 Approved
0.72 Intermediate Similarity NPD3656 Approved
0.7197 Intermediate Similarity NPD6875 Approved
0.7197 Intermediate Similarity NPD6876 Approved
0.7175 Intermediate Similarity NPD5457 Discontinued
0.717 Intermediate Similarity NPD2978 Approved
0.717 Intermediate Similarity NPD2977 Approved
0.7143 Intermediate Similarity NPD4357 Discontinued
0.7124 Intermediate Similarity NPD2219 Phase 1
0.7123 Intermediate Similarity NPD3144 Approved
0.7123 Intermediate Similarity NPD3145 Approved
0.7122 Intermediate Similarity NPD6382 Discontinued
0.7114 Intermediate Similarity NPD6111 Discontinued
0.7113 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5177 Phase 3
0.7097 Intermediate Similarity NPD1424 Approved
0.7091 Intermediate Similarity NPD2898 Approved
0.7075 Intermediate Similarity NPD3531 Approved
0.7075 Intermediate Similarity NPD3532 Approved
0.7075 Intermediate Similarity NPD3530 Approved
0.7075 Intermediate Similarity NPD2674 Phase 3
0.7075 Intermediate Similarity NPD2245 Discovery
0.7071 Intermediate Similarity NPD2668 Approved
0.7071 Intermediate Similarity NPD2667 Approved
0.7063 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5481 Discontinued
0.7059 Intermediate Similarity NPD5283 Phase 1
0.7047 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD4017 Approved
0.7021 Intermediate Similarity NPD3447 Discontinued
0.702 Intermediate Similarity NPD1725 Approved
0.7019 Intermediate Similarity NPD5353 Approved
0.7018 Intermediate Similarity NPD6618 Phase 2
0.7013 Intermediate Similarity NPD5241 Discontinued
0.7006 Intermediate Similarity NPD6030 Approved
0.7006 Intermediate Similarity NPD1670 Discontinued
0.7006 Intermediate Similarity NPD6031 Approved
0.7006 Intermediate Similarity NPD2122 Discontinued
0.6994 Remote Similarity NPD3349 Phase 2
0.6993 Remote Similarity NPD4162 Approved
0.6993 Remote Similarity NPD3060 Approved
0.6992 Remote Similarity NPD1358 Approved
0.6989 Remote Similarity NPD6493 Phase 3
0.6982 Remote Similarity NPD6297 Approved
0.6978 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1375 Discontinued
0.6968 Remote Similarity NPD5295 Discontinued
0.6968 Remote Similarity NPD7124 Phase 2
0.6964 Remote Similarity NPD5312 Approved
0.6964 Remote Similarity NPD5313 Approved
0.6962 Remote Similarity NPD4124 Clinical (unspecified phase)
0.6951 Remote Similarity NPD5677 Discontinued
0.6944 Remote Similarity NPD2922 Phase 1
0.6928 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6928 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2233 Approved
0.6923 Remote Similarity NPD2232 Approved
0.6923 Remote Similarity NPD2230 Approved
0.6918 Remote Similarity NPD2040 Clinical (unspecified phase)
0.6917 Remote Similarity NPD3134 Approved
0.6913 Remote Similarity NPD3110 Approved
0.6913 Remote Similarity NPD3109 Approved
0.6903 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6899 Remote Similarity NPD4727 Phase 1
0.6897 Remote Similarity NPD7291 Discontinued
0.6894 Remote Similarity NPD3384 Approved
0.6894 Remote Similarity NPD3383 Approved
0.6894 Remote Similarity NPD3382 Approved
0.6892 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7119 Phase 2
0.6886 Remote Similarity NPD4481 Phase 3
0.6879 Remote Similarity NPD2595 Approved
0.6879 Remote Similarity NPD4739 Approved
0.6879 Remote Similarity NPD2594 Approved
0.6859 Remote Similarity NPD160 Clinical (unspecified phase)
0.6859 Remote Similarity NPD2120 Phase 2
0.6854 Remote Similarity NPD5582 Discontinued
0.6852 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6852 Remote Similarity NPD5772 Approved
0.6852 Remote Similarity NPD5773 Approved
0.6852 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7905 Discontinued
0.6835 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6832 Remote Similarity NPD4773 Phase 2
0.6832 Remote Similarity NPD4772 Phase 2
0.6824 Remote Similarity NPD5746 Approved
0.6821 Remote Similarity NPD6853 Approved
0.6821 Remote Similarity NPD6851 Approved
0.6818 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6813 Remote Similarity NPD7261 Clinical (unspecified phase)
0.681 Remote Similarity NPD2560 Approved
0.681 Remote Similarity NPD2563 Approved
0.6807 Remote Similarity NPD6107 Approved
0.6802 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6797 Remote Similarity NPD2161 Phase 2
0.6792 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5976 Discontinued
0.679 Remote Similarity NPD7298 Approved
0.6788 Remote Similarity NPD228 Approved
0.6786 Remote Similarity NPD3596 Phase 2
0.6781 Remote Similarity NPD4098 Discontinued
0.6779 Remote Similarity NPD1336 Approved
0.6778 Remote Similarity NPD4420 Approved
0.6772 Remote Similarity NPD2335 Discontinued
0.6772 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6772 Remote Similarity NPD4123 Phase 3
0.677 Remote Similarity NPD2592 Discontinued
0.6768 Remote Similarity NPD6788 Approved
0.6768 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6071 Discontinued
0.675 Remote Similarity NPD3687 Approved
0.675 Remote Similarity NPD3686 Approved
0.6748 Remote Similarity NPD4585 Approved
0.6747 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6747 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7018 Phase 2
0.6733 Remote Similarity NPD5745 Approved
0.6732 Remote Similarity NPD3693 Clinical (unspecified phase)
0.6732 Remote Similarity NPD4108 Discontinued
0.6731 Remote Similarity NPD5754 Discontinued
0.6731 Remote Similarity NPD6331 Phase 2
0.673 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6727 Remote Similarity NPD1309 Phase 2
0.6727 Remote Similarity NPD1307 Phase 2
0.6726 Remote Similarity NPD5242 Approved
0.6726 Remote Similarity NPD2388 Discontinued
0.6711 Remote Similarity NPD5163 Phase 2
0.671 Remote Similarity NPD7153 Discontinued
0.6708 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5967 Approved
0.6706 Remote Similarity NPD2822 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7549 Discontinued
0.669 Remote Similarity NPD2486 Discontinued
0.6688 Remote Similarity NPD3156 Discontinued
0.6667 Remote Similarity NPD3051 Approved
0.6667 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1039 Discontinued
0.6667 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3294 Phase 2
0.6648 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6647 Remote Similarity NPD2904 Discontinued
0.6647 Remote Similarity NPD5966 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3281 Clinical (unspecified phase)
0.6645 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6644 Remote Similarity NPD1669 Approved
0.663 Remote Similarity NPD5006 Approved
0.663 Remote Similarity NPD5564 Approved
0.663 Remote Similarity NPD5005 Approved
0.6629 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6627 Remote Similarity NPD7832 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   638024
ChEMBL   CHEMBL43185
ZINC  

Physicochemical Properties

Molecular Weight:  285.14
ALogP:  -0.9494
MLogP:  2.89
XLogP:  3.167
# Rotatable Bonds:  4
Polar Surface Area:  38.77
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  21

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