Detailed information for compound 1554881

Basic information

Technical information
  • TDR Targets ID: 1554881
  • Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimi din-5-yl]-3-cyclohexyl-N-(2-methylpropyl)prop anamide
  • MW: 392.536 | Formula: C21H36N4O3
  • H donors: 2 H acceptors: 3 LogP: 4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)CCC1CCCCC1)C
  • InChi: 1S/C21H36N4O3/c1-14(2)12-24(17(26)11-10-16-8-6-5-7-9-16)18-19(22)25(13-15(3)4)21(28)23-20(18)27/h14-16H,5-13,22H2,1-4H3,(H,23,27,28)
  • InChiKey: KNEFQNDHTZYKSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-N-isobutyl-propanamide
  • N-(6-amino-1-isobutyl-2,4-dioxo-5-pyrimidinyl)-3-cyclohexyl-N-isobutylpropanamide
  • N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-N-isobutyl-propionamide
  • N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-pyrimidin-5-yl]-3-cyclohexyl-N-(2-methylpropyl)propanamide
  • T5506158

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6109 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) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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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