Detailed information for compound 1644873

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.394 | Formula: C15H18N4O2S
  • H donors: 2 H acceptors: 4 LogP: 3.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)O)/C=N/n1c(S)nnc1C1CCCCC1
  • InChi: 1S/C15H18N4O2S/c20-12-7-6-11(13(21)8-12)9-16-19-14(17-18-15(19)22)10-4-2-1-3-5-10/h6-10,20-21H,1-5H2,(H,18,22)/b16-9+
  • InChiKey: FZOSBVTXMFUPRU-CXUHLZMHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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 Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) 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
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0066 0.0064
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0055 0.0049 0.0132
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.046 0.0427
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0074 0.0064
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0392 0.123 0.3218
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0101 0.0211 0.0206
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0392 0.123 0.1226
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0027 0.0022
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0101 0.0211 0.0206
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0524
Entamoeba histolytica protein kinase, putative 0.0108 0.0233 0.1198
Treponema pallidum pyruvate carboxylase subunit B 0.0101 0.0211 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0392 0.123 0.3307
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0233 0.0228
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.046 0.0413
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0101 0.0211 0.0176
Schistosoma mansoni hypothetical protein 0.0205 0.0572 0.0568
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0101 0.0211 0.0206
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0005 0.0005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0049 0.0044
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.006 0.0066 0.0045
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0101 0.0211 0.0176
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.2895 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0049 0.0044
Entamoeba histolytica hypothetical protein 0.0108 0.0233 0.1198
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1133 0.109
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1103 0.3719 0.3717
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0049 0.0132
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0392 0.123 0.3307
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2793 0.9645 1
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0101 0.0211 0.0566
Mycobacterium ulcerans hypothetical protein 0.0192 0.0529 0.1421
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0392 0.123 0.2974
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1103 0.3719 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0101 0.0211 0.0288
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.0066 0.0061
Brugia malayi Pre-SET motif family protein 0.0251 0.0736 0.0759
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0218
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1103 0.3719 1
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0101 0.0211 0.0566
Echinococcus multilocularis tumor protein p63 0.0788 0.2616 0.2613
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0101 0.0211 0.0288
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0101 0.0211 0.0566
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1103 0.3719 0.3697
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 0.0176 0.0115
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0249 0.0729 0.0696
Onchocerca volvulus 0.01 0.0207 0.1955
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0392 0.123 0.1187
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0101 0.0211 0.0293
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0249 0.0729 0.1959
Loa Loa (eye worm) hypothetical protein 0.01 0.0207 0.0215
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0055 0.0049 0.0132
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1103 0.3719 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.0233 0.0199
Mycobacterium ulcerans hypothetical protein 0.0055 0.0049 0.0132
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0392 0.123 0.3656
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0101 0.0211 0.0293
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.0756 0.1181
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0123 0.0119
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0392 0.123 0.3307
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0049 0.0046
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0392 0.123 0.3307
Onchocerca volvulus 0.0286 0.0858 1
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0101 0.0211 0.015
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0101 0.0211 0.044
Trypanosoma cruzi acetyl-CoA carboxylase 0.1792 0.6136 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0119
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0494 0.1585 1
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0101 0.0211 0.0566
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0218
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.0233 0.0185
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0101 0.0211 0.0566
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1103 0.3719 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0207 0.021
Chlamydia trachomatis biotin carboxylase 0.1001 0.3364 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0249 0.0729 0.0724
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0245
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0736 0.0763
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0494 0.1585 0.5
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0101 0.0211 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0044
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0172
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0101 0.0211 0.0176
Brugia malayi Carboxyl transferase domain containing protein 0.2793 0.9645 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0524
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0474
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0101 0.0211 0.0293
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0249 0.0729 0.1012
Schistosoma mansoni aspartate carbamoyltransferase 0.0249 0.0729 0.0724
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.2895 1 1
Toxoplasma gondii pyruvate carboxylase 0.1103 0.3719 0.3681
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0101 0.0211 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0119
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0101 0.0211 0.015
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0392 0.123 0.1959
Loa Loa (eye worm) hypothetical protein 0.0107 0.0231 0.024
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1133 0.1801
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0259 0.0255
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0392 0.123 0.1226
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 0.0176 0.0115
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0092 0.0176 0.0245
Leishmania major carboxylase, putative 0.1103 0.3719 0.3689
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.0233 0.1198
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0249 0.0729 0.1137
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0858 0.5
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0101 0.0211 0.0288
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1103 0.3719 0.3717
Entamoeba histolytica protein kinase, putative 0.0108 0.0233 0.1198
Mycobacterium ulcerans hypothetical protein 0.0101 0.0211 0.0566
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0529 0.1421
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0218
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0392 0.123 0.3307
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0055 0.0049 0.0132
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0392 0.123 0.3218
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.0101 0.0211 0.0626
Leishmania major carbamoyl-phosphate synthase, putative 0.0249 0.0729 0.0683
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.0233 0.0325
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1103 0.3719 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0123 0.0123
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0119
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0101 0.0211 0.0626
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0027 0.0022
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0101 0.0211 0.015
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0392 0.123 0.1176
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0049 0.0046
Brugia malayi RNA binding protein 0.0076 0.0123 0.0123
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0101 0.0211 0.0293
Echinococcus granulosus geminin 0.0205 0.0572 0.0568
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0101 0.0211 0.0288
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1133 0.1801
Schistosoma mansoni hypothetical protein 0.0205 0.0572 0.0568
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0392 0.123 0.3307
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1103 0.3719 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2095 0.7197 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0392 0.123 0.1199
Leishmania major acetyl-CoA carboxylase, putative 0.2895 1 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0101 0.0211 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0119
Onchocerca volvulus 0.0115 0.0259 0.2602
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0049 0.0046
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0101 0.0211 0.0626
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0101 0.0211 0.0214
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.2895 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0207 0.0203
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0259 0.0255
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0049 0.0046
Echinococcus multilocularis Biotin lipoyl attachment 0.0101 0.0211 0.0206
Loa Loa (eye worm) hypothetical protein 0.0092 0.0176 0.0183
Schistosoma mansoni cellular tumor antigen P53 0.0115 0.0259 0.0255
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0055 0.0049 0.0132
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0101 0.0211 0.0288
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0101 0.0211 0.0097
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1103 0.3719 0.6039
Loa Loa (eye worm) hypothetical protein 0.006 0.0066 0.0069
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0101 0.0211 0.015
Loa Loa (eye worm) hypothetical protein 0.0055 0.0049 0.0051
Echinococcus granulosus dual specificity 0.0108 0.0233 0.0228
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0069
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0101 0.0211 0.0288
Echinococcus multilocularis geminin 0.0205 0.0572 0.0568
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0207 0.0203
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1103 0.3719 0.6039
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.046 0.0697
Echinococcus granulosus tar DNA binding protein 0.0076 0.0123 0.0119
Echinococcus multilocularis dual specificity 0.0108 0.0233 0.0228
Trypanosoma brucei acetyl-CoA carboxylase 0.2895 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1133 0.1102
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1103 0.3719 0.3717
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1103 0.3719 0.3697
Brugia malayi Probable ClpP-like protease 0.0092 0.0176 0.0178
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0101 0.0211 0.0214
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0392 0.123 0.3218
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.0233 0.0325
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1103 0.3719 0.3717
Brugia malayi TAR-binding protein 0.0076 0.0123 0.0123
Loa Loa (eye worm) RNA binding protein 0.0076 0.0123 0.0128
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0123 0.0128
Echinococcus granulosus peptidase Clp S14 family 0.006 0.0066 0.0061
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.0066 0.0176
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0101 0.0211 0.044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0044
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0392 0.123 0.1959
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0066 0.0064
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0101 0.0211 0.0206
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1103 0.3719 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0176 0.0172
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.0066 0.0176
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.0756 0.1181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0049 0.0132
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0066 0.0069
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2095 0.7197 1
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0101 0.0211 0.0162
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0474
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.0101 0.0211 0.0626
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0392 0.123 0.3307
Leishmania major hypothetical protein, conserved 0.0257 0.0756 0.071
Brugia malayi Protein kinase domain containing protein 0.0108 0.0233 0.0237
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.0756 0.0723
Brugia malayi jmjC domain containing protein 0.0115 0.0259 0.0264
Echinococcus granulosus tumor protein p63 0.0788 0.2616 0.2613
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0249 0.0729 0.1137
Echinococcus granulosus Biotin lipoyl attachment 0.0101 0.0211 0.0206
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.0233 0.0242
Toxoplasma gondii carbamoylphosphate synthetase 0.0249 0.0729 0.0671
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0119
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0049 0.0132
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0101 0.0211 0.0293
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0101 0.0211 0.0214
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0101 0.0211 0.0288
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0092 0.0176 0.0346
Mycobacterium ulcerans pyruvate carboxylase 0.1103 0.3719 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0392 0.123 0.3307
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0249 0.0729 0.0724
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0049 0.0051
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0123 0.0128
Schistosoma mansoni peptidase Clp (S14 family) 0.0092 0.0176 0.0172
Loa Loa (eye worm) hypothetical protein 0.0115 0.0259 0.0269
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0101 0.0211 0.0162
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1103 0.3719 0.3689
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0101 0.0211 0.0176
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0249 0.0729 0.1559
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0101 0.0211 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0049 0.0132
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0392 0.123 0.1187
Trypanosoma brucei unspecified product 0.0725 0.2396 0.2369
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0092 0.0176 0.0172
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0101 0.0211 0.0162
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0101 0.0211 0.0206
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0392 0.123 0.1226
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0101 0.0211 0.0206
Loa Loa (eye worm) hypothetical protein 0.0055 0.0049 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0049 0.0044
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0392 0.123 0.1959
Plasmodium falciparum carbamoyl phosphate synthetase 0.0249 0.0729 0.1012
Schistosoma mansoni pyruvate carboxylase 0.1103 0.3719 0.3717
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0049 0.0044
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.011 0.0114
Loa Loa (eye worm) hypothetical protein 0.0055 0.0049 0.0051
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0101 0.0211 0.0162
Loa Loa (eye worm) hypothetical protein 0.0107 0.0231 0.024
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0207 0.0203
Schistosoma mansoni acetyl-CoA carboxylase 0.2895 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0049 0.0132

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.93 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (functional) 48.81 uM PubChem BioAssay. Fluorescence polarization aasay to screen for inhibitors that compete for the binding of FadD28 to a bisubstrate Measured in Biochemical System Using Plate Reader - 2147-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.9285 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) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 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) 1.5849 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) 2.9362 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) 3.5481 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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