Detailed information for compound 1363413

Basic information

Technical information
  • TDR Targets ID: 1363413
  • Name: N-(3-chlorophenyl)-N'-[3-methyl-4-(tetrazol-1 -yl)phenyl]pyrrolidine-1,2-dicarboxamide
  • MW: 425.872 | Formula: C20H20ClN7O2
  • H donors: 2 H acceptors: 5 LogP: 2.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN1C(=O)Nc1cccc(c1)Cl)Nc1ccc(c(c1)C)n1cnnn1
  • InChi: 1S/C20H20ClN7O2/c1-13-10-16(7-8-17(13)28-12-22-25-26-28)23-19(29)18-6-3-9-27(18)20(30)24-15-5-2-4-14(21)11-15/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3,(H,23,29)(H,24,30)
  • InChiKey: VXSYWWKSCZIIIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chlorophenyl)-N'-[3-methyl-4-(1-tetrazolyl)phenyl]pyrrolidine-1,2-dicarboxamide
  • N-(3-chlorophenyl)-N'-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
  • MLS000856821
  • SMR000278766
  • ASN 06352010

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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 mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative AP endonuclease-related 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
Trichomonas vaginalis ap endonuclease, putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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) exodeoxyribonuclease III family protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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 Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0104 0.0252 0.0105
Leishmania major acetyl-CoA carboxylase, putative 0.2961 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0505 0.1621 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1128 0.3746 0.5922
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0401 0.1267 0.3233
Trypanosoma brucei unspecified product 0.0741 0.2428 0.2232
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1128 0.3746 0.3746
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0046 0.0046
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0104 0.0252 0.0288
Plasmodium falciparum carbamoyl phosphate synthetase 0.0255 0.0768 0.0742
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0104 0.0252 0.0252
Echinococcus multilocularis Biotin lipoyl attachment 0.0104 0.0252 0.0252
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0401 0.1267 0.311
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0046 0.0046
Schistosoma mansoni hypothetical protein 0.0043 0.0046 0.0046
Brugia malayi hypothetical protein 0.0043 0.0046 0.0048
Loa Loa (eye worm) hypothetical protein 0.0033 0.0009 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0087 0.0087
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1128 0.3746 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0401 0.1267 0.1267
Mycobacterium ulcerans pyruvate carboxylase 0.1128 0.3746 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0104 0.0252 0.0252
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0104 0.0252 0.0252
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0401 0.1267 0.2905
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0255 0.0768 0.1476
Onchocerca volvulus 0.0033 0.0009 0.013
Schistosoma mansoni acetyl-CoA carboxylase 0.2961 1 1
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0255 0.0768 0.1722
Leishmania major carboxylase, putative 0.1128 0.3746 0.3652
Schistosoma mansoni pyruvate carboxylase 0.1128 0.3746 0.3746
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1128 0.3746 0.3746
Trypanosoma cruzi acetyl-CoA carboxylase 0.1833 0.6152 1
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0104 0.0252 0.0105
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.0609 0.0631
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1128 0.3746 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0401 0.1267 0.1136
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0401 0.1267 0.311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0252 0.0261
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.2961 1 1
Trichomonas vaginalis set domain proteins, putative 0.0237 0.0707 0.5
Schistosoma mansoni lamin 0.0033 0.0009 0.0009
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0104 0.0252 0.0261
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0104 0.0252 0.0252
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0148 0.0148
Chlamydia trachomatis biotin carboxylase 0.1024 0.3392 1
Onchocerca volvulus 0.0033 0.0009 0.013
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1128 0.3746 0.3746
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0401 0.1267 0.1267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0087 0.0087
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0104 0.0252 0.0252
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1128 0.3746 1
Echinococcus granulosus lamin 0.0033 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0087
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0104 0.0252 0.0252
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0401 0.1267 0.172
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0148 0.0148
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0009 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0087 0.009
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.2961 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0505 0.1621 0.5
Toxoplasma gondii pyruvate carboxylase 0.1128 0.3746 0.3746
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0255 0.0768 0.1065
Echinococcus granulosus Biotin lipoyl attachment 0.0104 0.0252 0.0252
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1128 0.3746 0.3652
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0104 0.0252 0.0252
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0636 0.2068 0.2144
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0104 0.0252 0.0349
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0148 0.0148
Echinococcus multilocularis musashi 0.0033 0.0009 0.0009
Echinococcus granulosus intermediate filament protein 0.0033 0.0009 0.0009
Echinococcus multilocularis lamin 0.0033 0.0009 0.0009
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0255 0.0768 0.0529
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0255 0.0768 0.0874
Leishmania major carbamoyl-phosphate synthase, putative 0.0255 0.0768 0.0629
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1128 0.3746 0.3584
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1128 0.3746 0.3746
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0401 0.1267 0.2905
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0087 0.0087
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0401 0.1267 0.311
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0104 0.0252 0.0105
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1128 0.3746 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0104 0.0252 0.0261
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1128 0.3746 0.3584
Echinococcus granulosus lamin dm0 0.0033 0.0009 0.0009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0255 0.0768 0.0874
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0401 0.1267 0.311
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0401 0.1267 0.311
Onchocerca volvulus 0.0237 0.0707 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2142 0.7208 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0401 0.1267 0.311
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1128 0.3746 1
Brugia malayi Carboxyl transferase domain containing protein 0.2857 0.9646 1
Trypanosoma brucei acetyl-CoA carboxylase 0.2961 1 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0401 0.1267 0.2905
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0401 0.1267 0.172
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0104 0.0252 0.0288
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0009 0.001
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0401 0.1267 0.2905
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0255 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0032 0.0007 0.0007
Echinococcus multilocularis lamin dm0 0.0033 0.0009 0.0009
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0104 0.0252 0.0261
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1128 0.3746 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1128 0.3746 0.5922
Mycobacterium ulcerans hypothetical protein 0.0104 0.0252 0.0288
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0104 0.0252 0.0261
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0104 0.0252 0.0105
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0087 0.009
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0104 0.0252 0.0288
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0104 0.0252 0.0288
Brugia malayi intermediate filament protein 0.0033 0.0009 0.001
Schistosoma mansoni intermediate filament proteins 0.0033 0.0009 0.0009
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0104 0.0252 0.0261
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0255 0.0768 0.0768
Treponema pallidum pyruvate carboxylase subunit B 0.0104 0.0252 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0009 0.001
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0401 0.1267 0.1267
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0046 0.0046
Brugia malayi small heat shock protein 0.0636 0.2068 0.2144
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0104 0.0252 0.0252
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0104 0.0252 0.0288
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0104 0.0252 0.0252
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0401 0.1267 0.311
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0401 0.1267 0.1041
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0401 0.1267 0.311
Toxoplasma gondii carbamoylphosphate synthetase 0.0255 0.0768 0.0768
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0104 0.0252 0.0349
Brugia malayi Pre-SET motif family protein 0.0208 0.0609 0.0631
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0104 0.0252 0.0252
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0401 0.1267 0.1267
Schistosoma mansoni aspartate carbamoyltransferase 0.0255 0.0768 0.0768
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0104 0.0252 0.0252
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0104 0.0252 0.0252
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2142 0.7208 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.2961 1 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0401 0.1267 0.1136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0087
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1128 0.3746 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0104 0.0252 0.0252
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2857 0.9646 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0401 0.1267 0.172
Schistosoma mansoni lamin 0.0033 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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