Detailed information for compound 1249338

Basic information

Technical information
  • TDR Targets ID: 1249338
  • Name: N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4 -ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methyl benzamide
  • MW: 474.595 | Formula: C28H34N4O3
  • H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(c2c1cccc2)/C=C(/C(=O)NCCCN1CCOCC1)\NC(=O)c1ccc(cc1)C
  • InChi: 1S/C28H34N4O3/c1-3-32-20-23(24-7-4-5-8-26(24)32)19-25(30-27(33)22-11-9-21(2)10-12-22)28(34)29-13-6-14-31-15-17-35-18-16-31/h4-5,7-12,19-20H,3,6,13-18H2,1-2H3,(H,29,34)(H,30,33)/b25-19-
  • InChiKey: LOWZFDWLJUTDCE-PLRJNAJWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(Z)-2-(1-ethylindol-3-yl)-1-(3-morpholinopropylcarbamoyl)vinyl]-4-methyl-benzamide
  • N-[(Z)-2-(1-ethyl-3-indolyl)-1-[(3-morpholinopropylamino)-oxomethyl]vinyl]-4-methylbenzamide
  • N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxo-prop-1-en-2-yl]-4-methyl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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 guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis esterase, putative 0.0043 0.0578 0.1316
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0354 0.0411
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.3454 1
Schistosoma mansoni hypothetical protein 0.0042 0.055 0.0674
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0411 0.0488
Schistosoma mansoni hypothetical protein 0.0031 0.0343 0.0396
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1794 0.3471
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0578 0.1316
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0066 0.1018 0.1017
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.0411 0.041
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.055 0.1156
Echinococcus granulosus cpg binding protein 0.0066 0.1004 0.1003
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0534 0.1069
Onchocerca volvulus 0.0043 0.0578 0.0742
Echinococcus multilocularis neuropeptide receptor A26 0.0536 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0644 0.0644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0803 0.0803
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.1146 0.1146
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0866 0.1096
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0114 0.0239
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.7529 0.7529
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.2023 0.3928
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0194 0.3454 1
Brugia malayi Pre-SET motif family protein 0.0214 0.3833 0.8047
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1794 0.3471
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0578 0.8876
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0125 0.2136 0.2136
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0273 0.0573
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0578 0.8876
Loa Loa (eye worm) hypothetical protein 0.0019 0.0111 0.0232
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0644 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0058 0.0016
Echinococcus multilocularis lamin dm0 0.0028 0.0273 0.0272
Loa Loa (eye worm) hypothetical protein 0.0144 0.2502 0.526
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0578 0.1215
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0578 0.1041
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Echinococcus granulosus tar DNA binding protein 0.0073 0.1146 0.1146
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0866 0.0866
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1146 0.2365
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0866 0.238
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0578 0.1316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0803 0.1012
Leishmania major trypanothione reductase 0.0047 0.0644 0.1727
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0803 0.0803
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.2141 0.28
Mycobacterium ulcerans beta-lactamase 0.0043 0.0578 0.1533
Brugia malayi beta-lactamase family protein 0.0043 0.0578 0.1163
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0308 0.0307
Leishmania major hypothetical protein, conserved 0.0031 0.0343 0.0839
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0644 0.1354
Echinococcus granulosus zinc finger protein 0.0043 0.0573 0.0573
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0058 0.0057
Loa Loa (eye worm) hypothetical protein 0.006 0.0898 0.1888
Echinococcus multilocularis lamin 0.0028 0.0273 0.0272
Brugia malayi Bromodomain containing protein 0.0156 0.2732 0.5719
Onchocerca volvulus 0.0243 0.4394 1
Schistosoma mansoni zinc finger protein 0.0043 0.0573 0.0704
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0194 0.3454 0.6788
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0058 0.0131
Echinococcus granulosus geminin 0.0177 0.3124 0.3124
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0273 0.0517
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0114 0.0114
Echinococcus granulosus dnaJ subfamily B 0.0407 0.7529 0.7529
Schistosoma mansoni cpg binding protein 0.0058 0.0865 0.1095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.1018 0.1299
Leishmania major hypothetical protein, conserved 0.0043 0.0578 0.1533
Schistosoma mansoni intermediate filament proteins 0.0028 0.0273 0.0303
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1146 0.1471
Schistosoma mansoni hypothetical protein 0.0019 0.0111 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1146 0.1471
Echinococcus granulosus lamin dm0 0.0028 0.0273 0.0272
Mycobacterium tuberculosis Conserved protein 0.0043 0.0578 0.1041
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0194 0.3454 0.3454
Trypanosoma cruzi ISWI complex protein 0.0031 0.0343 0.4857
Onchocerca volvulus 0.0043 0.0578 0.0742
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0644 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0644 1
Brugia malayi Bromodomain containing protein 0.0078 0.1239 0.256
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0046 0.0045
Trypanosoma brucei ISWI complex protein 0.0031 0.0343 0.4857
Toxoplasma gondii thioredoxin reductase 0.0047 0.0644 0.1727
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0578 0.1041
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0058 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.3454 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.2023 0.3928
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0028 0.0059
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0273 0.0573
Echinococcus granulosus neuropeptide receptor A26 0.0536 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0644 0.1173
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Schistosoma mansoni aldehyde dehydrogenase 0.0194 0.3454 0.4554
Schistosoma mansoni lamin 0.0028 0.0273 0.0303
Brugia malayi beta-lactamase 0.0043 0.0578 0.1163
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0058 0.5
Plasmodium falciparum thioredoxin reductase 0.0047 0.0644 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0578 0.1316
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0125 0.2136 0.2136
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0578 0.1533
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.1794 0.8418
Plasmodium vivax SET domain protein, putative 0.0032 0.0354 0.5044
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0058 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0111 0.0087
Schistosoma mansoni lamin 0.0028 0.0273 0.0303
Schistosoma mansoni hypothetical protein 0.0041 0.0534 0.0652
Trypanosoma brucei trypanothione reductase 0.0047 0.0644 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0578 0.1041
Loa Loa (eye worm) glutathione reductase 0.0047 0.0644 0.1354
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0058 0.0062
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0111 0.011
Brugia malayi RNA binding protein 0.0073 0.1146 0.2365
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.0066 0.1018 0.2139
Echinococcus multilocularis zinc finger protein 0.0043 0.0573 0.0573
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0578 0.0578
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0578 0.8876
Brugia malayi PHD-finger family protein 0.0054 0.0781 0.1592
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0046 0.0045
Brugia malayi Pre-SET motif family protein 0.0032 0.0354 0.0688
Onchocerca volvulus 0.0032 0.0354 0.0196
Schistosoma mansoni hypothetical protein 0.0177 0.3124 0.4114
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0111 0.011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.1018 0.1299
Brugia malayi CXXC zinc finger family protein 0.0058 0.0865 0.177
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.2023 0.3928
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.0411 0.041
Plasmodium falciparum glutathione reductase 0.0047 0.0644 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.3833 0.8058
Loa Loa (eye worm) hypothetical protein 0.0028 0.0273 0.0573
Mycobacterium tuberculosis Conserved protein 0.0043 0.0578 0.1041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0578 0.0712
Schistosoma mansoni aldehyde dehydrogenase 0.0194 0.3454 0.4554
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0866 0.0866
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0578 0.8876
Brugia malayi glutathione reductase 0.0047 0.0644 0.1303
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0354 0.0353
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0898 0.1888
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0262 0.4756 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0117 0.198 0.566
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1146 0.241
Echinococcus multilocularis cpg binding protein 0.0066 0.1004 0.1003
Schistosoma mansoni hypothetical protein 0.0019 0.0111 0.0087
Schistosoma mansoni hypothetical protein 0.0177 0.3124 0.4114
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0046 0.0045
Echinococcus multilocularis geminin 0.0177 0.3124 0.3124
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0578 0.1316
Echinococcus granulosus GPCR family 2 0.0019 0.0111 0.011
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.009 0.1472 0.3094
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0184 0.0329
Brugia malayi beta-lactamase family protein 0.0043 0.0578 0.1163
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0114 0.0114
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0058 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1146 0.1471
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.3454 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0354 0.0411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0803 0.1012
Mycobacterium tuberculosis Conserved protein 0.0043 0.0578 0.1041
Loa Loa (eye worm) hypothetical protein 0.0083 0.1334 0.2803
Echinococcus granulosus histone lysine methyltransferase setb 0.0066 0.1018 0.1017
Mycobacterium ulcerans lipase LipD 0.0043 0.0578 0.1533
Schistosoma mansoni zinc finger protein 0.0031 0.0343 0.0396
Echinococcus multilocularis musashi 0.0028 0.0273 0.0272
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0058 0.0131
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0578 0.1041
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0791 0.1662
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0866 0.1616
Treponema pallidum NADH oxidase 0.0016 0.0058 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0194 0.3454 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0578 0.1533
Echinococcus multilocularis GPCR, family 2 0.0019 0.0111 0.011
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0194 0.3454 0.3454
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5061 1
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1146 0.1146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0803 0.1012
Echinococcus granulosus intermediate filament protein 0.0028 0.0273 0.0272
Loa Loa (eye worm) hypothetical protein 0.0078 0.1241 0.2609
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0578 0.1533
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0578 0.0578
Echinococcus multilocularis neuropeptide s receptor 0.0536 1 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.1146 0.241
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0111 0.011
Loa Loa (eye worm) hypothetical protein 0.0027 0.0263 0.0552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0803 0.0803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.2023 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0111 0.011
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1794 0.3471
Mycobacterium ulcerans hypothetical protein 0.0043 0.0578 0.1533
Loa Loa (eye worm) beta-lactamase 0.0043 0.0578 0.1215
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0866 0.238
Echinococcus granulosus lamin 0.0028 0.0273 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1146 0.1471
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1146 0.1471
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0435 0.0913
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0578 0.1041
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0866 0.1772
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0689 0.0688
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0578 0.1041
Onchocerca volvulus 0.0043 0.0578 0.0742
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0898 0.184
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0689 0.0859
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0111 0.0175
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0411 0.0488
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0111 0.0175
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0689 0.0688
Brugia malayi TAR-binding protein 0.0073 0.1146 0.2365
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0865 0.1819
Loa Loa (eye worm) hypothetical protein 0.0041 0.0534 0.1122
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0578 0.1316
Brugia malayi Thioredoxin reductase 0.0047 0.0644 0.1303
Brugia malayi intermediate filament protein 0.0028 0.0273 0.0517
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1146 0.241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0803 0.0803
Brugia malayi follicle stimulating hormone receptor 0.0262 0.4756 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0578 0.0712
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0578 0.1163
Loa Loa (eye worm) hypothetical protein 0.0043 0.0578 0.1215
Schistosoma mansoni bromodomain containing protein 0.0132 0.2276 0.298
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0578 0.1041
Trypanosoma cruzi ISWI complex protein 0.0031 0.0343 0.4857
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0354 0.0871
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0803 0.1688
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1794 0.3471
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0058 0.5
Schistosoma mansoni cpg binding protein 0.0066 0.1004 0.128
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0803 0.1639
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0898 0.184
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0866 0.238
Schistosoma mansoni cpg binding protein 0.0066 0.1004 0.128
Schistosoma mansoni hypothetical protein 0.0019 0.0111 0.0087
Mycobacterium tuberculosis Probable reductase 0.0107 0.1794 0.3471
Trichomonas vaginalis set domain proteins, putative 0.0243 0.4394 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0111 0.0232
Schistosoma mansoni hypothetical protein 0.0407 0.7529 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1794 0.3471
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0046 0.0045
Onchocerca volvulus 0.0058 0.0865 0.1438

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 10 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) 18.526 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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