Detailed information for compound 1436587

Basic information

Technical information
  • TDR Targets ID: 1436587
  • Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3 -cyclohexyl-N-(2-methylpropyl)propanamide
  • MW: 392.536 | Formula: C21H36N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1c(N)c(N(C(=O)CCC2CCCCC2)CC(C)C)c(=O)[nH]c1=O
  • InChi: 1S/C21H36N4O3/c1-4-5-13-24-19(22)18(20(27)23-21(24)28)25(14-15(2)3)17(26)12-11-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
  • InChiKey: BLCIEWWQORHBMQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-N-isobutyl-propanamide
  • N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyclohexyl-N-isobutylpropanamide
  • N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-N-isobutyl-propionamide
  • N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0231 0.118 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0891 0.5106 0.6471
Mycobacterium leprae Polyketide synthase Pks13 0.1346 0.781 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0361 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0859 0.4914 0.557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0631 0.2867
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0231 0.118 1
Toxoplasma gondii quinone oxidoreductase, putative 0.0057 0.0148 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0631 0.2867
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0093 0.0361 0.2059
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0361 0.0277
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0057 0.0148 0.0168
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0093 0.0361 0.0277
Mycobacterium ulcerans polyketide synthase MbtD 0.0283 0.1489 0.175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0631 0.2867
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.017 0.0028
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0263 0.1194
Loa Loa (eye worm) hypothetical protein 0.0141 0.0647 0.0733
Mycobacterium ulcerans polyketide synthase 0.0948 0.5447 0.6916
Loa Loa (eye worm) hypothetical protein 0.1516 0.8822 1
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0057 0.0148 0.0674
Echinococcus granulosus AMP dependent ligase 0.0093 0.0361 0.164
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0076 0.0263 0.0149
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.017 0.0081
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.058 0.3256 0.4057
Echinococcus multilocularis geminin 0.0205 0.1025 0.4661
Mycobacterium ulcerans hypothetical protein 0.0076 0.0263 0.0149
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0093 0.0361 0.164
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0766 0.4362 0.55
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0488 0.2708 0.3341
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0093 0.0361 0.0277
Loa Loa (eye worm) beta-lactamase 0.0076 0.0263 0.0298
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0058 0.0154 0.0007
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Loa Loa (eye worm) hypothetical protein 0.0487 0.2704 0.3065
Brugia malayi beta-lactamase family protein 0.0076 0.0263 0.0263
Loa Loa (eye worm) acyl carrier protein 0.0423 0.2321 0.2631
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0263 0.0875
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.0263 0.0298
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0132 0.0592 0.4269
Mycobacterium ulcerans acyl carrier protein 0.0093 0.0361 0.0277
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0093 0.0361 0.0277
Loa Loa (eye worm) hypothetical protein 0.0057 0.0148 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0631 0.2867
Mycobacterium leprae conserved hypothetical protein 0.0093 0.0361 0.0277
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0948 0.5447 0.6916
Entamoeba histolytica hypothetical protein 0.0077 0.0268 0.5625
Mycobacterium ulcerans hypothetical protein 0.0093 0.0361 0.0277
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0093 0.0361 0.0277
Brugia malayi Phosphopantetheine attachment site family protein 0.0093 0.0361 0.0361
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.017 0.0028
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0093 0.0361 0.0277
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0093 0.0361 0.0277
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0948 0.5447 0.6916
Schistosoma mansoni hypothetical protein 0.0077 0.0268 0.1217
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0372 0.2018 0.2441
Echinococcus multilocularis AMP dependent ligase 0.0093 0.0361 0.164
Brugia malayi beta-lactamase family protein 0.0076 0.0263 0.0263
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0093 0.0361 0.0277
Onchocerca volvulus 0.0076 0.0263 0.012
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0891 0.5107 0.6473
Mycobacterium tuberculosis Conserved protein 0.0076 0.0263 0.0149
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0165 0.075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0631 0.0715
Mycobacterium tuberculosis Probable hydrolase 0.0076 0.0263 0.0149
Schistosoma mansoni hypothetical protein 0.0069 0.0222 0.1009
Trypanosoma cruzi acyl transferase-like protein 0.0058 0.0154 0.0053
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0465 0.257 0.4593
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0891 0.5106 0.6471
Mycobacterium leprae conserved hypothetical protein 0.0076 0.0263 0.0149
Mycobacterium tuberculosis Conserved protein 0.0076 0.0263 0.0149
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0058 0.0154 0.0699
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.0263 0.0263
Mycobacterium ulcerans Type I modular polyketide synthase 0.0891 0.5107 0.6473
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0076 0.0263 0.0149
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.017 0.0773
Mycobacterium leprae Probable lipase LipE 0.0076 0.0263 0.0149
Loa Loa (eye worm) hypothetical protein 0.0057 0.0148 0.0168
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0413 0.0413
Mycobacterium tuberculosis Hypothetical protein 0.0277 0.1455 0.1706
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0093 0.0361 0.0277
Loa Loa (eye worm) hypothetical protein 0.0141 0.0647 0.0733
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0891 0.5107 0.6473
Mycobacterium tuberculosis Probable lipase LipE 0.0076 0.0263 0.0149
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0361 0.0277
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0361 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0654 0.3699 0.6714
Plasmodium vivax acyl carrier protein, putative 0.0093 0.0361 0.2016
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0263 0.0875
Schistosoma mansoni acyl carrier protein 0.0093 0.0361 0.164
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0948 0.5447 0.6916
Onchocerca volvulus 0.0093 0.0361 0.0223
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0141 0.0647 0.0651
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0724 0.4111 0.5173
Mycobacterium ulcerans acyl carrier protein 0.0093 0.0361 0.0277
Leishmania major hypothetical protein, conserved 0.0058 0.0154 0.0042
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0231 0.118 0.5367
Toxoplasma gondii acyl carrier protein ACP 0.0093 0.0361 0.044
Mycobacterium tuberculosis Conserved protein 0.0076 0.0263 0.0149
Mycobacterium ulcerans polyketide synthase Pks13 0.1346 0.781 1
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0058 0.0154 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0263 0.0875
Entamoeba histolytica hypothetical protein 0.0077 0.0268 0.5625
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0058 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0069 0.0222 0.0251
Mycobacterium tuberculosis Probable thioesterase TesA 0.0766 0.4362 0.55
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0891 0.5107 0.5107
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0231 0.118 0.118
Leishmania major hypothetical protein, conserved 0.0277 0.1455 1
Brugia malayi hypothetical protein 0.0077 0.0268 0.0268
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0523 0.2915 0.3612
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0263 0.1108
Mycobacterium ulcerans thioesterase TesA 0.0766 0.4362 0.55
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0596 0.3354 0.6066
Loa Loa (eye worm) hypothetical protein 0.0102 0.0413 0.0468
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0093 0.0361 0.0277
Schistosoma mansoni [ACP] S-malonyltransferase 0.0058 0.0154 0.0699
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0268 0.1217
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.058 0.3256 0.4057
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.066 0.3734 0.468
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0891 0.5107 0.6473
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0631 0.2867
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0093 0.0361 0.0277
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0141 0.0647 0.0651
Mycobacterium ulcerans thioesterase 0.0766 0.4362 0.55
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0263 0.1194
Trypanosoma brucei acyl transferase-like protein 0.0058 0.0154 0.0053
Entamoeba histolytica hypothetical protein 0.0077 0.0268 0.5625
Trichomonas vaginalis conserved hypothetical protein 0.0277 0.1455 1
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.0263 0.1108
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0093 0.0361 0.2059
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Loa Loa (eye worm) hypothetical protein 0.0057 0.0148 0.0168
Echinococcus granulosus NADH dehydrogenase 0.0093 0.0361 0.164
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.017 0.0773
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0712 0.4039 0.5079
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0225 0.1144 0.13
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0231 0.118 0.198
Schistosoma mansoni hypothetical protein 0.0205 0.1025 0.4661
Mycobacterium ulcerans polyketide synthase MbtC 0.0231 0.118 0.1347
Schistosoma mansoni zinc binding dehydrogenase 0.0057 0.0148 0.0674
Onchocerca volvulus 0.0859 0.4914 0.5011
Toxoplasma gondii type I fatty acid synthase 0.0141 0.0647 0.0978
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0948 0.5447 0.6916
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0057 0.0148 0.0674
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0093 0.0361 0.0277
Onchocerca volvulus 0.16 0.932 0.9643
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.2199 1
Echinococcus granulosus acyl carrier protein mitochondrial 0.0093 0.0361 0.164
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0361 0.0277
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0058 0.0154 0.0699
Onchocerca volvulus 0.0076 0.0263 0.012
Plasmodium vivax hypothetical protein, conserved 0.0132 0.0592 0.4269
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0891 0.5107 0.6473
Schistosoma mansoni methyltransferase-related 0.0277 0.1455 0.6615
Brugia malayi AMP-binding enzyme family protein 0.0283 0.1489 0.1489
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0076 0.0263 0.0149
Echinococcus multilocularis NADH dehydrogenase 0.0093 0.0361 0.164
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0231 0.118 0.5367
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0231 0.118 0.1347
Trypanosoma cruzi acyl transferase-like protein, putative 0.0058 0.0154 0.0053
Trichomonas vaginalis esterase, putative 0.0076 0.0263 0.0875
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0076 0.0263 0.0149
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1346 0.781 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0891 0.5107 0.6473
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0148 0.0148
Onchocerca volvulus 0.0076 0.0263 0.012
Mycobacterium ulcerans Type I modular polyketide synthase 0.0891 0.5107 0.6473
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0231 0.118 0.5367
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0948 0.5447 0.6916
Chlamydia trachomatis acyl carrier protein 0.0093 0.0361 0.2016
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0093 0.0361 0.0277
Mycobacterium ulcerans esterase/lipase LipP 0.0076 0.0263 0.0149
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0231 0.118 1
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0268 0.1217
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0288 0.1521 0.1792
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.017 0.0773
Treponema pallidum acyl carrier protein 0.0093 0.0361 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.0263 0.1194
Mycobacterium ulcerans polyketide synthase Pks9 0.058 0.3256 0.4057
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.017 0.0167
Loa Loa (eye worm) fatty acid synthase 0.0907 0.52 0.5895
Brugia malayi Methyltransferase-like protein 4 0.0277 0.1455 0.1455
Mycobacterium ulcerans fatty acid synthase Fas 0.0289 0.1525 0.1797
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0141 0.0647 0.0651
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0231 0.118 0.7899
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0141 0.0647 0.0651
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0231 0.118 0.1338
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0268 0.1217
Brugia malayi Alcohol dehydrogenase class III 0.0057 0.0148 0.0148
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0289 0.1525 0.1797
Mycobacterium leprae Probable polyketide synthase Pks1 0.0948 0.5447 0.6916
Schistosoma mansoni [ACP] S-malonyltransferase 0.0058 0.0154 0.0699
Mycobacterium ulcerans lipase LipD 0.0076 0.0263 0.0149
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0263 0.0875
Mycobacterium ulcerans beta-lactamase 0.0076 0.0263 0.0149
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0289 0.1525 0.1797
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0263 0.0875
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.017 0.0028
Schistosoma mansoni hypothetical protein 0.0205 0.1025 0.4661
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0093 0.0361 0.0409
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0093 0.0361 0.0361
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0631 0.0631
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0631 0.2867
Loa Loa (eye worm) acyl carrier protein 0.0093 0.0361 0.0409
Brugia malayi beta-lactamase 0.0076 0.0263 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0263 0.1108
Mycobacterium tuberculosis Conserved protein 0.0277 0.1455 0.1706
Plasmodium falciparum acyl carrier protein 0.0093 0.0361 0.2016
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0231 0.118 1
Giardia lamblia Methyltransferase like 2 0.0277 0.1455 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0891 0.5107 0.6473
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0093 0.0361 0.0277
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0148 0.0148
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0712 0.4039 0.5079
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.0263 0.1194
Entamoeba histolytica hypothetical protein 0.0077 0.0268 0.5625
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0859 0.4914 0.6221
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0413 0.0413
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0148 0.0148
Toxoplasma gondii ABC1 family protein 0.0076 0.0263 0.0255
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0057 0.0148 0.004
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0231 0.118 1
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0283 0.1489 0.175
Loa Loa (eye worm) hypothetical protein 0.0057 0.0148 0.0168
Schistosoma mansoni hypothetical protein 0.0093 0.0361 0.164
Mycobacterium ulcerans polyketide synthase 0.0891 0.5107 0.6473
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0231 0.118 0.1347
Mycobacterium tuberculosis Probable esterase LipL 0.0076 0.0263 0.0149
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1346 0.781 1
Brugia malayi AMP-binding enzyme family protein 0.0859 0.4914 0.4914
Echinococcus granulosus geminin 0.0205 0.1025 0.4661
Toxoplasma gondii type I fatty acid synthase, putative 0.0948 0.5447 1
Schistosoma mansoni alcohol dehydrogenase 0.0057 0.0148 0.0674
Leishmania major hypothetical protein, conserved 0.0076 0.0263 0.0875
Toxoplasma gondii acyl transferase domain-containing protein 0.0058 0.0154 0.0051
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0948 0.5447 0.6916
Schistosoma mansoni [ACP] S-malonyltransferase 0.0058 0.0154 0.0699
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0093 0.0361 0.0277
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0891 0.5107 0.6473
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0093 0.0361 0.0223
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.017 0.0773
Mycobacterium tuberculosis Probable lipase LipD 0.0076 0.0263 0.0149
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0712 0.4039 0.5079
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0141 0.0647 0.0651
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0093 0.0361 0.2059
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0222 0.0222
Schistosoma mansoni hypothetical protein 0.0402 0.2199 1
Leishmania major acyl carrier protein, putative 0.0093 0.0361 0.1626
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0231 0.118 1
Onchocerca volvulus Fatty acid synthase homolog 0.1657 0.9659 1
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0231 0.118 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0413 0.0468
Echinococcus granulosus dnaJ subfamily B 0.0402 0.2199 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0631 0.2867
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0093 0.0361 0.0361
Plasmodium vivax hypothetical protein, conserved 0.0076 0.0263 0.106
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.017 0.0028
Loa Loa (eye worm) hypothetical protein 0.0076 0.0263 0.0298
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0948 0.5447 0.6916
Mycobacterium tuberculosis Conserved hypothetical protein 0.0093 0.0361 0.0277
Loa Loa (eye worm) hypothetical protein 0.0058 0.0154 0.0174

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0928 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) 0.7519 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.