Natural Product: NPC245531

Natural Product ID:  NPC245531
Common Name:   Chlorothalonil
IUPAC Name:   2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Synonyms:   2,4,5,6-Tetrachloroisophthalonitrile; Chlorothalonil
Molecular Formula:   C8Cl4N2
Standard InCHIKey:  CRQQGFGUEAVUIL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
Canonical SMILES:  N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl
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
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota rhizome PMID[12617587]
NPO8921 Senna obtusifolia Species Fabaceae Eukaryota TM-MC*
NPO7672 Senna tora Species Fabaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT638 Organism Sclerotinia sclerotiorum Sclerotinia sclerotiorum EC50 = 7.16 ug/ml 18331796
NPT851 Organism Colletotrichum fragariae Colletotrichum fragariae IZ = 280 mm 10978195
NPT5409 Organism Corynespora cassiicola Corynespora cassiicola Inhibition = 86.43 % 19246128
NPT2 Others Unspecified Potency = 631 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 2238.7 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 39810.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1778.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 25118.9 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 15848.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 1778.3 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 1995.3 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 2238.7 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 2511.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 2238.7 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 794.3 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 2511.9 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 281.8 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 1584.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 316.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 251.2 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT5409 Organism Corynespora cassiicola Corynespora cassiicola GI = 83.88 % 22004723
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 19331.2 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 22387.2 nM PubChem BioAssay data set
NPT21 Organism Aspergillus niger Aspergillus niger MIC = 52 ug/ml 22902032
NPT637 Organism Fusarium oxysporum Fusarium oxysporum MIC = 52 ug/ml 22902032
NPT4304 Organism Macrophomina phaseolina Macrophomina phaseolina MIC = 52 ug/ml 22902032
NPT2637 Organism Colletotrichum lagenarium Colletotrichum lagenarium IC50 = 0.87 ug/ml 22443262
NPT5410 Organism Pestalotiopsis microspora Pestalotiopsis microspora EC50 = 3.05 ug/ml 10.1016/j.cropro.2012.07.018
NPT5410 Organism Pestalotiopsis microspora Pestalotiopsis microspora EC50 = 2.08 ug/ml 10.1016/j.cropro.2012.07.018
NPT5411 Organism Phomopsis asparagi Phomopsis asparagi EC50 = 4.35 ug/ml 20041703
NPT638 Organism Sclerotinia sclerotiorum Sclerotinia sclerotiorum EC50 = 0.41 ug/ml 20041703
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana Inhibition = 23.29 % 20151651
NPT4738 Organism Passalora fulva Passalora fulva Activity = 48.4 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 73.4 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 91 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 43.2 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 96.5 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 95.2 % 10.1016/j.cropro.2006.08.005
NPT4738 Organism Passalora fulva Passalora fulva Activity = 84.4 % 10.1016/j.cropro.2006.08.005
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA EC90 = 49.42 ug/ml 10.1016/j.cropro.2005.11.008
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA EC50 = 0.998 ug/ml 10.1016/j.cropro.2005.11.008
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA Activity = 4.7 mm 10.1016/j.cropro.2005.11.008
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA Activity = 7.6 mm 10.1016/j.cropro.2005.11.008
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA Activity = 19.3 mm 10.1016/j.cropro.2005.11.008
NPT1525 Organism Rhizoctonia solani AG-1 IA Rhizoctonia solani AG-1 IA Activity = 30 mm 10.1016/j.cropro.2005.11.008
NPT4304 Organism Macrophomina phaseolina Macrophomina phaseolina ED50 = 0.61 mg/kg 10.1016/j.cropro.2011.12.015
NPT3184 Organism Glycine max Glycine max Activity = 160 18611026
NPT3184 Organism Glycine max Glycine max Activity = 8163 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 16472 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 4613 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 6823 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 6932 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 8753 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 40547 cpm 18611026
NPT3184 Organism Glycine max Glycine max Activity = 324 18611026
NPT3184 Organism Glycine max Glycine max Activity = 91 18611026
NPT3184 Organism Glycine max Glycine max Activity = 134 18611026
NPT3184 Organism Glycine max Glycine max Activity = 136 18611026
NPT3184 Organism Glycine max Glycine max Activity = 172 18611026
NPT3184 Organism Glycine max Glycine max Activity = 797 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 71701 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 3195 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 679 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 3033 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 1323 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 3731 cpm 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 1409 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 63 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 13 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 60 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 26 18611026
NPT3586 Organism Cucurbita pepo Cucurbita pepo Activity = 73 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 9447 cpm 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 4015 cpm 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 2201 cpm 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 155 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 66 18611026
NPT356 Organism Vitis vinifera Vitis vinifera Activity = 36 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 10667 cpm 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 12506 cpm 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 5420 cpm 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 229 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 268 18611026
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 116 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 6051 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 4410 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 2814 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 5038 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 5697 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 5901 cpm 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 174 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 127 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 81 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 145 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 164 18611026
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 169 18611026
NPT5200 Organism Puccinia triticina Puccinia triticina GI = 100 % 21314199
NPT825 Organism Phytophthora infestans Phytophthora infestans Activity = 95 % 10.1016/S0261-2194(00)00172-1
NPT1199 Organism Valsa mali Valsa mali Inhibition = 88 % 22027951
NPT638 Organism Sclerotinia sclerotiorum Sclerotinia sclerotiorum Inhibition = 70 % 22027951
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana Inhibition = 95 % 22027951
NPT5412 Organism Phytophthora parasitica Phytophthora parasitica Inhibition = 63.71 % 22027951
NPT5413 Organism Puccinia asparagi Puccinia asparagi Inhibition = 82.09 % 22027951
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Inhibition = 75.48 % 22027951
NPT2564 Organism Blumeria graminis Blumeria graminis Activity = 0 % 12617587
NPT829 Organism Puccinia recondita Puccinia recondita Activity = 0 % 12617587
NPT825 Organism Phytophthora infestans Phytophthora infestans Activity = 95 % 12617587
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana Activity = 0 % 12617587
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Activity = 0 % 12617587
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea Activity = 0 % 12617587
NPT5414 Organism Mycosphaerella nawae Mycosphaerella nawae EC50 = 17 ug/ml 10.1016/j.cropro.2011.05.017
NPT5414 Organism Mycosphaerella nawae Mycosphaerella nawae EC50 = 33.5 ug/ml 10.1016/j.cropro.2011.05.017
NPT5415 Organism Pseudoperonospora cubensis Pseudoperonospora cubensis Activity = 55.3 % 10.1584/jpestics.27.223
NPT1318 Organism Diplodia mutila Diplodia mutila EC50 = 0.258 mgAi/L 22290833
NPT1319 Organism Neofusicoccum luteum Neofusicoccum luteum EC50 = 7.873 mgAi/L 22290833
NPT5416 Organism Neofusicoccum australe Neofusicoccum australe EC50 = 3.847 mgAi/L 22290833
NPT1319 Organism Neofusicoccum luteum Neofusicoccum luteum Activity = 30 % 22290833
NPT1319 Organism Neofusicoccum luteum Neofusicoccum luteum Activity = 51.9 mm 22290833
NPT1318 Organism Diplodia mutila Diplodia mutila EC50 = 1.35 mgAi/L 22290833
NPT1319 Organism Neofusicoccum luteum Neofusicoccum luteum EC50 = 11.15 mgAi/L 22290833
NPT5416 Organism Neofusicoccum australe Neofusicoccum australe EC50 = 10.79 mgAi/L 22290833
NPT2 Others Unspecified Potency 25.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 517.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 651.3 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 177.8 nM PubChem BioAssay data set
NPT20 Organism Candida albicans Candida albicans MIC = 0.5 ug/ml 23489634
NPT2 Others Unspecified MIC = 0.7 ug/ml 23489634
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.5 ug/ml 23489634
NPT20 Organism Candida albicans Candida albicans IZ = 9.9 mm 23489634
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 20.1 mm 23489634
NPT2 Others Unspecified IZ = 20.2 mm 23489634
NPT20 Organism Candida albicans Candida albicans MFC99.9 = 7.8 ug/ml 24044873
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC99.9 = 2 ug/ml 24044873
NPT2 Others Unspecified MBC99.9 = 1.7 ug/ml 24044873
NPT20 Organism Candida albicans Candida albicans MIC = 0.7 ug/ml 24044873
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 1.7 ug/ml 24044873
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.5 ug/ml 24044873
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1.3 ug/ml 24044873
NPT2 Others Unspecified MIC = 0.7 ug/ml 24044873
NPT20 Organism Candida albicans Candida albicans IZ = 17 mm 24044873
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 15.8 mm 24044873
NPT19 Organism Escherichia coli Escherichia coli IZ = 18.5 mm 24044873
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 14 mm 24044873
NPT2 Others Unspecified IZ = 15.5 mm 24044873
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 81.58 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 92.97 % 23571415
NPT2 Others Unspecified Potency 6786.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 245.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1087.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 480.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6916.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8707.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1066.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21689.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15059.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15193.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 87075.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21460.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21271.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6048.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 26779.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 846.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60485.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 193.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3371.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2238.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15484.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10661 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4762.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1096.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1548.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 172.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 1949.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 53431.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 1912.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1075.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4364.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3857.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70794.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6113.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1704.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 476.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1354.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30046.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2408 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24079.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1380.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8634.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43641.2 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 1075.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 212.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42820.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3401.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19493.8 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 1096.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1505.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 854.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1689.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 424.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1949.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 267.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9688.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 968.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 122 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3031.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1912.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 2753.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6726.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1933.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 616.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1122 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 153.6 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 1354.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 863.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18958.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 769.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 950.2 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 6786.5 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 2408 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 4364.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5390.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4896.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4804.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7760.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 485.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37826.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1219.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3004.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12299.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3063.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9586.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1206.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13540.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1895.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38570.8 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 NPC245531 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
0.6667 Remote Similarity NPC320749

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC245531 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
0.617 Remote Similarity NPD914 Suspended
0.5816 Remote Similarity NPD1185 Approved
0.5729 Remote Similarity NPD1475 Approved
0.5657 Remote Similarity NPD262 Approved
0.5657 Remote Similarity NPD263 Approved

Structure

External Identifiers

PubChem CID   15910
ChEMBL   CHEMBL468167
ZINC  

Physicochemical Properties

Molecular Weight:  263.88
ALogP:  3.0466
MLogP:  1.68
XLogP:  1.876
# Rotatable Bonds:  4
Polar Surface Area:  47.58
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  14

Download Data

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