Detailed information for compound 1383901

Basic information

Technical information
  • TDR Targets ID: 1383901
  • Name: MLS000331098
  • MW: 527.612 | Formula: C34H29N3O3
  • H donors: 2 H acceptors: 3 LogP: 4.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCc1cccc2c1NC(=O)C12N2CCCC2C(C21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C34H29N3O3/c1-2-20-11-7-13-25-29(20)36-32(40)34(25)33(24-12-5-6-14-26(24)35-31(33)39)28(27-15-8-18-37(27)34)30(38)23-17-16-21-9-3-4-10-22(21)19-23/h3-7,9-14,16-17,19,27-28H,2,8,15,18H2,1H3,(H,35,39)(H,36,40)
  • InChiKey: QYQDPBFSISDNBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000221199

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis protoporphyrinogen oxidase 0.0062 0.0557 0.0565
Brugia malayi Doublecortin family protein 0.0059 0.0522 0.1702
Brugia malayi jmjC domain containing protein 0.0115 0.1176 0.4126
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.383 0.375
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0062 0.0557 0.0666
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0062 0.0063
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.01 0.0998 0.1193
Loa Loa (eye worm) doublecortin family protein 0.0059 0.0522 0.1732
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0691 0.0141
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.383 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Echinococcus granulosus lysine specific histone demethylase 1A 0.0062 0.0557 0.0666
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0062 0.0557 0.0999
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.012 0.0122
Loa Loa (eye worm) hypothetical protein 0.0035 0.0249 0.0726
Giardia lamblia PHD finger protein 15 0.0035 0.0249 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0062 0.0075
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0194 0.1689
Schistosoma mansoni survival motor neuron protein 0.0051 0.0438 0.0523
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0539 0.1764
Plasmodium vivax unspecified product 0.01 0.1001 0.222
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0409 0.0489
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0249 0.0726
Echinococcus multilocularis GPCR, family 2 0.0019 0.0062 0.0063
Entamoeba histolytica hypothetical protein 0.0035 0.0245 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0062 0.0557 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0059 0.0522 0.0529
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0359 0.0429
Brugia malayi hypothetical protein 0.0062 0.0557 0.1833
Plasmodium falciparum LCCL domain-containing protein 0.0059 0.0522 0.0901
Treponema pallidum hypothetical protein 0.0345 0.383 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.012 0.0144
Schistosoma mansoni hypothetical protein 0.0035 0.0249 0.0298
Echinococcus multilocularis RUN 0.0059 0.0522 0.0529
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0409 0.0415
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0286 0.0342
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1176 0.1194
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0062 0.0557 0.0999
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.01 0.0998 0.1012
Toxoplasma gondii histone lysine-specific demethylase 0.0062 0.0557 0.452
Schistosoma mansoni hypothetical protein 0.0019 0.0062 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0539 0.1794
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.01 0.0998 0.1193
Onchocerca volvulus 0.0051 0.0438 0.6114
Schistosoma mansoni loxhd1 0.0059 0.0522 0.0624
Brugia malayi jmjC domain containing protein 0.0045 0.0359 0.1097
Plasmodium falciparum protoporphyrinogen oxidase 0.0062 0.0557 0.0999
Onchocerca volvulus 0.0059 0.0522 0.8848
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.01 0.0998 0.1193
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0249 0.0298
Entamoeba histolytica hypothetical protein 0.0035 0.0245 0.5
Echinococcus granulosus RUN 0.0059 0.0522 0.0624
Schistosoma mansoni hypothetical protein 0.0345 0.3835 0.4585
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0194 0.1689
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0438 0.139
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0053 0.0063
Entamoeba histolytica hypothetical protein 0.0035 0.0245 0.5
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.01 0.0998 1
Schistosoma mansoni zinc finger protein 0.0016 0.0031 0.0037
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0351 0.3909 0.3966
Echinococcus multilocularis 0.0062 0.0557 0.0565
Loa Loa (eye worm) hypothetical protein 0.0019 0.0062 0.0036
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0062 0.0557 0.452
Schistosoma mansoni zinc finger protein 0.0021 0.0084 0.01
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.383 0.3466
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0062 0.0075
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.012 0.0144
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.01 0.0998 1
Plasmodium falciparum fructose-bisphosphate aldolase 0.01 0.0998 0.221
Schistosoma mansoni bromodomain containing protein 0.0068 0.0624 0.0745
Loa Loa (eye worm) hypothetical protein 0.006 0.0541 0.18
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0575
Schistosoma mansoni hypothetical protein 0.0019 0.0062 0.0075
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0053 0.0053
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0062 0.0557 0.0999
Brugia malayi fructose-bisphosphate aldolase 1 0.01 0.0998 0.3464
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0359 0.0429
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0481 0.0575
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.01 0.0998 0.1012
Leishmania major hypothetical protein, conserved 0.003 0.0194 0.1689
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0579 0.0588
Loa Loa (eye worm) hypothetical protein 0.0046 0.0369 0.1166
Brugia malayi amine oxidase, flavin-containing family protein 0.0062 0.0557 0.1833
Echinococcus multilocularis peregrin 0.0038 0.0279 0.0283
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Brugia malayi SWIRM domain containing protein 0.0062 0.0557 0.1833
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.01 0.0998 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0249 0.0253
Schistosoma mansoni hypothetical protein 0.0041 0.0318 0.038
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Schistosoma mansoni hypothetical protein 0.0035 0.0245 0.0293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0481 0.0575
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0539 0.1764
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0053 0.0063
Schistosoma mansoni polycystin 1-related 0.0059 0.0522 0.0624
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0481 0.0488
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0683 0.2327
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0579 0.0693
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0249 0.0687
Echinococcus granulosus fructose bisphosphate aldolase class I 0.01 0.0998 0.1193
Schistosoma mansoni hypothetical protein 0.0051 0.0438 0.0523
Plasmodium vivax unspecified product 0.0107 0.1084 0.2447
Brugia malayi hypothetical protein 0.002 0.0069 0.0026
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0249 0.0687
Loa Loa (eye worm) hypothetical protein 0.006 0.0539 0.1794
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0194 0.1689
Schistosoma mansoni hypothetical protein 0.0345 0.3835 0.4585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0575
Brugia malayi fructose-bisphosphate aldolase 2 0.01 0.0998 0.3464
Echinococcus multilocularis lipoxygenase domain containing protein 0.0059 0.0522 0.0529
Plasmodium vivax multidomain scavenger receptor, putative 0.0059 0.0522 0.0901
Echinococcus granulosus zinc finger protein 0.0021 0.0084 0.01
Brugia malayi Bromodomain containing protein 0.0041 0.0315 0.0935
Schistosoma mansoni rab6-interacting 0.0059 0.0522 0.0624
Echinococcus granulosus lysine specific histone demethylase 1A 0.0062 0.0557 0.0666
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0053 0.0063
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0691 0.0153
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.01 0.0998 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0059 0.0522 0.0624
Schistosoma mansoni amine oxidase 0.0062 0.0557 0.0666
Onchocerca volvulus 0.0062 0.0557 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0107 0.1084 0.2447
Brugia malayi hypothetical protein 0.0035 0.0245 0.0678
Echinococcus granulosus lipoxygenase domain containing protein 0.0059 0.0522 0.0624
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0037
Echinococcus multilocularis Polycystic kidney disease protein 0.0059 0.0522 0.0529
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0249 0.0152
Brugia malayi PHD-finger family protein 0.0027 0.015 0.0323
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0557 0.0999
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0062 0.0557 0.0565
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.01 0.0998 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.383 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0053 0.0063
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0359 0.113
Plasmodium falciparum phd finger protein, putative 0.0035 0.0249 0.0152
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.01 0.0998 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.01 0.0998 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0691 0.6178
Brugia malayi hypothetical protein 0.0252 0.2762 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0691 0.0141
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.01 0.0998 0.1193
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.2762 0.3303
Schistosoma mansoni hypothetical protein 0.0019 0.0062 0.0075
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.2762 0.2803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0575
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0691 0.6824
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.01 0.0998 0.3487
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0053 0.0063
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0878 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0335 0.034
Brugia malayi Bromodomain containing protein 0.008 0.0768 0.2614
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0249 0.0298
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0481 0.0488
Loa Loa (eye worm) hypothetical protein 0.0043 0.0345 0.1079
Schistosoma mansoni microtubule-associated protein tau 0.0736 0.8365 1
Brugia malayi hypothetical protein 0.0059 0.0522 0.1702
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0481 0.1582
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0902 0.1079
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.006 0.0028
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0691 0.0826
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0691 0.0826
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0691 0.0701
Schistosoma mansoni hypothetical protein 0.0059 0.0522 0.0624
Loa Loa (eye worm) hypothetical protein 0.003 0.0194 0.0523
Schistosoma mansoni hypothetical protein 0.0022 0.0097 0.0116
Schistosoma mansoni amine oxidase 0.0062 0.0557 0.0666
Brugia malayi hypothetical protein 0.003 0.0194 0.0488
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1176 0.1406
Echinococcus granulosus peregrin 0.0038 0.0279 0.0333
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0318 0.0947
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.01 0.0998 0.1012
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0062 0.0063
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0053 0.0063
Entamoeba histolytica hypothetical protein 0.0035 0.0245 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0059 0.0522 0.0624
Onchocerca volvulus 0.0059 0.0522 0.8848
Brugia malayi PHD-finger family protein 0.0035 0.0249 0.0693
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0097 0.0163
Schistosoma mansoni hypothetical protein 0.0019 0.0062 0.0075
Brugia malayi hypothetical protein 0.0059 0.0522 0.1702
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.01 0.0998 0.1193
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.1863
Loa Loa (eye worm) hypothetical protein 0.0252 0.2762 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0557 0.5445
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.098
Echinococcus granulosus geminin 0.0345 0.3835 0.4585
Brugia malayi Bromodomain containing protein 0.0038 0.0279 0.0801
Plasmodium vivax vivapain-1 0.0107 0.1084 0.2447
Echinococcus multilocularis geminin 0.0345 0.3835 0.3891
Echinococcus multilocularis zinc finger protein 0.0021 0.0084 0.0085
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0481 0.1551
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0691 0.0141
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0062 0.0557 0.0999
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0245 0.0293
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0557 0.5445
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.01 0.0998 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.01 0.0998 0.1012
Echinococcus multilocularis microtubule associated protein 2 0.0736 0.8365 0.8486
Leishmania major fructose-1,6-bisphosphate aldolase 0.01 0.0998 1
Schistosoma mansoni lipoxygenase 0.0246 0.2685 0.321
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.01 0.0998 0.221
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0062 0.0557 0.0666
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0816 0.9285 1
Leishmania major UDP-galactopyranose mutase 0.0062 0.0557 0.5445
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0245 0.0249
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.01 0.0998 0.3487
Loa Loa (eye worm) hypothetical protein 0.0041 0.0316 0.0972
Loa Loa (eye worm) hypothetical protein 0.0075 0.0715 0.2446
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0359 0.0429
Loa Loa (eye worm) hypothetical protein 0.0059 0.0522 0.1732
Echinococcus granulosus GPCR family 2 0.0019 0.0062 0.0075
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0691 0.0826
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0245 0.0293
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0062 0.0036
Echinococcus granulosus microtubule associated protein 2 0.0736 0.8365 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0865 0.9857 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0351 0.3909 0.4673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0286 0.029
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0053 0.0053
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.383 1
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0557 0.0999
Schistosoma mansoni lipoxygenase 0.0351 0.3909 0.4673
Schistosoma mansoni rab6-interacting 0.0059 0.0522 0.0624
Loa Loa (eye worm) hypothetical protein 0.0059 0.0522 0.1732

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 16.2 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 35.7 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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