Detailed information for compound 1361811

Basic information

Technical information
  • TDR Targets ID: 1361811
  • Name: 1-methyl-5-(phenoxy)indole-2-carbohydrazide
  • MW: 281.309 | Formula: C16H15N3O2
  • H donors: 2 H acceptors: 1 LogP: 2.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1cc2c(n1C)ccc(c2)Oc1ccccc1
  • InChi: 1S/C16H15N3O2/c1-19-14-8-7-13(21-12-5-3-2-4-6-12)9-11(14)10-15(19)16(20)18-17/h2-10H,17H2,1H3,(H,18,20)
  • InChiKey: MDZHKPKONJZXGK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-5-(phenoxy)-2-indolecarbohydrazide
  • SMR000503100
  • STK017666
  • ZINC04561064
  • MLS001183409

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens galanin receptor 3 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0008 0.0279
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0035 0.001 0.0366
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.004 0.1439
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0075 0.0077 0.3274
Loa Loa (eye worm) glutathione reductase 0.0053 0.004 0.1185
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0408
Loa Loa (eye worm) hypothetical protein 0.0035 0.001 0.0302
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0075 0.0077 0.0067
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0088 0.0099 0.2508
Plasmodium falciparum cysteine--tRNA ligase 0.0088 0.0099 0.424
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.6066 1 1
Echinococcus granulosus thymidylate synthase 0.012 0.0152 0.5441
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0088 0.0099 0.2919
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0044 0.1571
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0034 0.0008 0.0751
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0169 0.0233 0.8345
Loa Loa (eye worm) norepinephrine transporter 0.0169 0.0233 0.6876
Loa Loa (eye worm) hypothetical protein 0.0088 0.0099 0.2919
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.012 0.0152 0.0132
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0832 0.133 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0316 0.0476 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0122 0.0155 0.6622
Trypanosoma brucei trypanothione reductase 0.0053 0.004 0.1417
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0075 0.0077 0.0067
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0832 0.133 0.1313
Onchocerca volvulus 0.0035 0.001 0.0261
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0065 0.2313
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0044 0.1294
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0197 0.0279 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0008 0.0279
Echinococcus multilocularis thymidylate synthase 0.012 0.0152 0.5441
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.004 0.1439
Plasmodium falciparum cysteine--tRNA ligase 0.0088 0.0099 0.424
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0075 0.0077 0.0057
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0438
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0075 0.0077 0.3274
Loa Loa (eye worm) hypothetical protein 0.0169 0.0233 0.6876
Echinococcus granulosus serotonin transporter 0.0169 0.0233 0.8345
Loa Loa (eye worm) solute carrier family 6 member 4 0.0169 0.0233 0.6876
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0035 0.001 0.0243
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0341
Onchocerca volvulus 0.0088 0.0099 0.2521
Mycobacterium ulcerans glycosyltransferase 0.0041 0.002 0.001
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0082
Leishmania major cysteinyl-tRNA synthetase, putative 0.0088 0.0099 0.3526
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.017 0.0233 0.835
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.0153 0.0133
Trypanosoma brucei acetyl-CoA carboxylase 0.0197 0.0279 1
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0192 0.027 0.026
Loa Loa (eye worm) hypothetical protein 0.0169 0.0233 0.6876
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0001 0.0026
Brugia malayi Thioredoxin reductase 0.0053 0.004 0.1185
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0832 0.133 0.1321
Plasmodium vivax glutathione reductase, putative 0.0053 0.004 0.1722
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0408
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0088 0.0099 0.3542
Brugia malayi Dihydrofolate reductase 0.0049 0.0034 0.0995
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0008 0.0279
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0065 0.0055
Brugia malayi dihydrofolate reductase family protein 0.0049 0.0034 0.0995
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0044 0.1294
Brugia malayi hypothetical protein 0.0057 0.0047 0.1396
Echinococcus granulosus dihydrofolate reductase 0.0049 0.0034 0.1208
Leishmania major carboxylase, putative 0.0075 0.0077 0.2734
Brugia malayi Carboxyl transferase domain containing protein 0.019 0.0268 0.7902
Plasmodium vivax SET domain protein, putative 0.0033 0.0008 0.0334
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.0175 0.0156
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.0153 0.0133
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0065 0.2332
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.0339 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0192 0.027 0.1544
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0967
Leishmania major hypothetical protein, conserved 0.003 0.0003 0.0074
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.0077 0.2734
Trichomonas vaginalis set domain proteins, putative 0.0266 0.0392 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.017 0.0233 1
Chlamydia trachomatis dihydrofolate reductase 0.0049 0.0034 0.0708
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0141 0.0185 0.0166
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0316 0.0476 1
Schistosoma mansoni dihydrofolate reductase 0.0049 0.0034 0.1208
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0075 0.0077 0.2753
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.004 0.1696
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0003 0.01
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0003 0.0119
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.6066 1 1
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0088 0.0099 1
Echinococcus granulosus cysteinyl tRNA synthetase 0.0088 0.0099 0.3542
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0065 0.2332
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.0175 0.0156
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0088 0.0099 0.4222
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0003 0.0119
Loa Loa (eye worm) thymidylate synthase 0.012 0.0152 0.4483
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0034 0.0008 0.0751
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0003 0.0089
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0141 0.0185 0.0166
Echinococcus multilocularis dihydrofolate reductase 0.0049 0.0034 0.1208
Loa Loa (eye worm) serotonin transporter b 0.0169 0.0233 0.6876
Leishmania major dihydrofolate reductase-thymidylate synthase 0.017 0.0233 0.835
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0065 0.2332
Echinococcus granulosus leucyl tRNA synthetase 0.0088 0.0099 0.3542
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0006 0.0206
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0143 0.0189 0.8097
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.017 0.0233 1
Chlamydia trachomatis cysteine--tRNA ligase 0.0088 0.0099 0.2077
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.0153 0.0133
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0035 0.001 0.0438
Brugia malayi Pre-SET motif family protein 0.0033 0.0008 0.023
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.017 0.0233 1
Loa Loa (eye worm) dihydrofolate reductase 0.0049 0.0034 0.0995
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0065 0.0055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0044 0.1571
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0197 0.0279 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.012 0.0152 0.5441
Loa Loa (eye worm) hypothetical protein 0.0033 0.0008 0.023
Treponema pallidum sodium- and chloride- dependent transporter 0.0169 0.0233 0.3554
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0065 0.2332
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.0153 0.0133
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.001 0.0366
Mycobacterium ulcerans thymidylate synthase 0.012 0.0152 0.0142
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0035 0.001 0.0366
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.012 0.0152 0.0132
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0049 0.0034 0.0024
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0003 0.0089
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0001 0.0026
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.019 0.0268 0.7902
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0088 0.0099 0.0089
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0035 0.001 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0044 0.1571
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0049 0.0034 0.0014
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0143 0.0189 0.8097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0044 0.1571
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0065 0.2332
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.001 0.0302
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0057 0.0047 0.2002
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0049 0.0034 0.0014
Onchocerca volvulus 0.0033 0.0008 0.0199
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0192 0.027 0.4547
Mycobacterium tuberculosis Hypothetical protein 0.0057 0.0047 0.0028
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.001 0.0366
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0169 0.0233 0.6876
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0088 0.0099 0.3526
Brugia malayi thymidylate synthase 0.012 0.0152 0.4483
Schistosoma mansoni sodium/chloride dependent transporter 0.0169 0.0233 0.8345
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0088 0.0099 0.3542
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0008 0.0279
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.004 0.1722
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0088 0.0099 0.3542
Onchocerca volvulus 0.0266 0.0392 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0008 0.0279
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0075 0.0077 0.2753
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0044 0.1571
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0832 0.133 0.1313
Brugia malayi glutathione reductase 0.0053 0.004 0.1185
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0197 0.0279 1
Mycobacterium tuberculosis Probable reductase 0.0121 0.0153 0.0133
Toxoplasma gondii pyruvate carboxylase 0.0075 0.0077 0.2753
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0075 0.0077 0.0057
Leishmania major trypanothione reductase 0.0053 0.004 0.1417
Chlamydia trachomatis biotin carboxylase 0.0068 0.0065 0.1373
Schistosoma mansoni pyruvate carboxylase 0.0075 0.0077 0.2753
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0065 0.0045
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0075 0.0077 0.2734
Brugia malayi Pre-SET motif family protein 0.0233 0.0339 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0003 0.0074
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0035 0.001 0.0967
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.004 0.002
Plasmodium falciparum glutathione reductase 0.0053 0.004 0.1722
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0008 0.0279
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0088 0.0099 0.2919
Trypanosoma brucei unspecified product 0.0049 0.0034 0.1202
Echinococcus multilocularis serotonin transporter 0.0169 0.0233 0.8345
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0075 0.0077 0.2753
Brugia malayi Flap endonuclease-1 0.0029 0.0001 0.0021
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.0153 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0008 0.0279
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.0175 0.0156
Brugia malayi hypothetical protein 0.003 0.0003 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0008 0.0279
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0075 0.0077 0.0067
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.004 0.1185
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0075 0.0077 0.0057
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0065 0.0055
Plasmodium falciparum flap endonuclease 1 0.0029 0.0001 0.0031
Onchocerca volvulus 0.0169 0.0233 0.594
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0088 0.0099 0.4222
Onchocerca volvulus 0.012 0.0152 0.3873
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0197 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.0233 0.6876
Echinococcus granulosus flap endonuclease 1 0.0029 0.0001 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0044 0.1571
Plasmodium falciparum thioredoxin reductase 0.0053 0.004 0.1722
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0121 0.0153 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0044 0.1571
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.0175 0.0156
Schistosoma mansoni acetyl-CoA carboxylase 0.0197 0.0279 1
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0088 0.0099 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0047 0.1189
Toxoplasma gondii thioredoxin reductase 0.0053 0.004 0.1439
Mycobacterium ulcerans pyruvate carboxylase 0.0075 0.0077 0.0067
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.017 0.0233 0.8355
Giardia lamblia Cysteinyl-tRNA synthetase 0.0088 0.0099 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.0077 0.2734
Plasmodium vivax cysteine--tRNA ligase, putative 0.0088 0.0099 0.424
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0192 0.027 0.5679
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0088 0.0099 0.3542
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0075 0.0077 0.2753
Leishmania major acetyl-CoA carboxylase, putative 0.0197 0.0279 1
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0001 0.0021
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0003 0.0119
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0001 0.0031
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0035 0.001 0.0366

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.169 uM PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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