Detailed information for compound 1288261

Basic information

Technical information
  • TDR Targets ID: 1288261
  • Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-pro pylaminopurine-2,6-dione
  • MW: 345.371 | Formula: C17H20FN5O2
  • H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C17H20FN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,19,20)
  • InChiKey: XDMOGFJWCPAWIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-propylamino-purine-2,6-dione
  • 7-(4-fluorobenzyl)-1,3-dimethyl-8-propylamino-xanthine
  • MLS000102938
  • 7-(4-Fluoro-benzyl)-1,3-dimethyl-8-propylamino-3,7-dihydro-purine-2,6-dione
  • BAS 02999154
  • SMR000015555
  • ZINC02302843
  • ST5296692
  • Oprea1_207328
  • EU-0043604
  • Oprea1_315084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin 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
Schistosoma japonicum expressed protein 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis cytoplasmic intermediate filament protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, 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 survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni tar DNA-binding protein 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 hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus tar DNA binding protein 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 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
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus intermediate filament protein 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
Brugia malayi Intermediate filament tail domain containing protein 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0442
Schistosoma mansoni survival motor neuron protein 0.0058 0.0088 0.0062
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0051 0.0039
Schistosoma mansoni hypothetical protein 0.0179 0.0385 0.036
Mycobacterium ulcerans glutaminase 0.0305 0.0696 0.1151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0136 0.1856
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0351 0.081 0.1089
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0156 0.033 0.0097
Echinococcus granulosus intermediate filament protein 0.0057 0.0085 0.0073
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0156 0.033 0.0097
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0148 0.0136
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0143 0.0296 0.0296
Brugia malayi beta-lactamase 0.0156 0.033 0.0322
Loa Loa (eye worm) hypothetical protein 0.0033 0.0026 0.0017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0088 0.007
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.0063 0.005
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0026 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0023 0.0227
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0116 0.0111
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0552 0.1307 0.2905
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0143 0.0296 0.0271
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0143 0.0296 0.042
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0116 0.0127
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0552 0.1307 0.2905
Mycobacterium tuberculosis Conserved protein 0.0156 0.033 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0008 0.0001
Mycobacterium ulcerans esterase/lipase LipP 0.0156 0.033 0.0097
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0116 0.0116
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0552 0.1307 0.2905
Mycobacterium leprae Probable lipase LipE 0.0156 0.033 0.0097
Echinococcus granulosus lamin dm0 0.0057 0.0085 0.0073
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.0517 0.0526
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0552 0.1307 0.2068
Brugia malayi TAR-binding protein 0.0076 0.0133 0.0117
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0143 0.0296 0.0287
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0032 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0015 0.0101
Onchocerca volvulus 0.0058 0.0088 0.1047
Trichomonas vaginalis penicillin-binding protein, putative 0.0156 0.033 0.4674
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1552 0.3774 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0148 0.0136
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0695 0.1659 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0148 0.0144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0148 0.0136
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0143 0.0296 0.0271
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.0063 0.0037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.008 0.0054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.008 0.0068
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0143 0.0296 0.0284
Onchocerca volvulus 0.0156 0.033 0.5311
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0351 0.081 0.0786
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.0063 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0442
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0133 0.0107
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0143 0.0296 0.042
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1552 0.3774 0.6093
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0148 0.0133
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0552 0.1307 0.2905
Trypanosoma cruzi acetyl-CoA carboxylase 0.2523 0.617 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1552 0.3774 0.6093
Brugia malayi Heterochromatin protein 1 0.0078 0.0136 0.012
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0044 0.0031
Brugia malayi intermediate filament protein 0.0057 0.0085 0.0068
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0143 0.0296 0.0287
Loa Loa (eye worm) glutaminase 0.0305 0.0696 0.0713
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0552 0.1307 0.3233
Mycobacterium ulcerans lipase LipD 0.0156 0.033 0.0097
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.006 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0063 0.0794
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0143 0.0296 0.0271
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1552 0.3774 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0552 0.1307 0.2905
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0552 0.1307 0.1307
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1552 0.3774 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0063 0.0794
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.0063 0.0063
Onchocerca volvulus 0.0057 0.0085 0.101
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0116 0.009
Brugia malayi hypothetical protein 0.0286 0.0649 0.0653
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0552 0.1307 0.2905
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0351 0.081 0.1476
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0116 0.01
Trichomonas vaginalis chromobox protein, putative 0.0047 0.006 0.0751
Schistosoma mansoni hypothetical protein 0.0083 0.0148 0.0123
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0143 0.0296 0.0287
Schistosoma mansoni cellular tumor antigen P53 0.0106 0.0206 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Schistosoma mansoni hypothetical protein 0.0043 0.0051 0.0025
Echinococcus multilocularis chromobox protein 1 0.0078 0.0136 0.0124
Brugia malayi Pre-SET motif family protein 0.0033 0.0026 0.0007
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1552 0.3774 0.3758
Mycobacterium tuberculosis Probable lipase LipD 0.0156 0.033 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0014 0.009
Loa Loa (eye worm) hypothetical protein 0.0143 0.0296 0.0297
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0143 0.0296 0.042
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.0063 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0179 0.0385 0.038
Echinococcus granulosus beta LACTamase domain containing family member 0.0156 0.033 0.0318
Echinococcus granulosus lamin 0.0057 0.0085 0.0073
Onchocerca volvulus Huntingtin homolog 0.0148 0.0309 0.4946
Brugia malayi RNA binding protein 0.0076 0.0133 0.0117
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0021 0.019
Leishmania major hypothetical protein, conserved 0.0156 0.033 0.0292
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.033 0.4674
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0133 0.0107
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0552 0.1307 0.1273
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0143 0.0296 0.0284
Schistosoma mansoni aspartate carbamoyltransferase 0.0351 0.081 0.0786
Mycobacterium tuberculosis Conserved protein 0.0156 0.033 0.0097
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0649 0.0637
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0051 0.0409
Mycobacterium ulcerans hypothetical protein 0.0156 0.033 0.0097
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0136 0.1856
Echinococcus granulosus tar DNA binding protein 0.0076 0.0133 0.0121
Brugia malayi Carboxyl transferase domain containing protein 0.3932 0.9648 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0351 0.081 0.0786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Trichomonas vaginalis set domain proteins, putative 0.0264 0.0596 0.8541
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0085 0.0068
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1552 0.3774 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0351 0.081 0.0742
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0552 0.1307 0.2905
Echinococcus granulosus chromobox protein 1 0.0078 0.0136 0.0124
Onchocerca volvulus Huntingtin homolog 0.0148 0.0309 0.4946
Echinococcus granulosus GPCR family 2 0.0083 0.0148 0.0136
Loa Loa (eye worm) RNA binding protein 0.0076 0.0133 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0008 0.0001
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0116 0.0104
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0143 0.0296 0.042
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.0063 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.008 0.0054
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0116 0.0078
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1552 0.3774 0.3758
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0038 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0442
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0552 0.1307 0.2905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0015 0.0101
Trichomonas vaginalis glutaminase, putative 0.0305 0.0696 1
Mycobacterium tuberculosis Probable hydrolase 0.0156 0.033 0.0097
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0136 0.0131
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1552 0.3774 0.3767
Brugia malayi beta-lactamase family protein 0.0156 0.033 0.0322
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0051 0.0025
Schistosoma mansoni pyruvate carboxylase 0.1552 0.3774 0.3758
Trichomonas vaginalis esterase, putative 0.0156 0.033 0.4674
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0143 0.0296 0.0271
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0552 0.1307 0.2068
Onchocerca volvulus 0.0156 0.033 0.5311
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0143 0.0296 0.0284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.008 0.0068
Trypanosoma brucei unspecified product 0.102 0.2462 0.2462
Onchocerca volvulus 0.0106 0.0206 0.3139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0063 0.0794
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0116 0.0127
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0351 0.081 0.1258
Brugia malayi hypothetical protein 0.0043 0.0051 0.0033
Schistosoma mansoni glutaminase 0.0305 0.0696 0.0672
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.033 0.0475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0442
Loa Loa (eye worm) hypothetical protein 0.0143 0.0296 0.0297
Trichomonas vaginalis penicillin-binding protein, putative 0.0156 0.033 0.4674
Loa Loa (eye worm) hypothetical protein 0.0056 0.0083 0.0076
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.0057 0.0031
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0133 0.0117
Schistosoma mansoni lamin 0.0057 0.0085 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0045 0.0542
Toxoplasma gondii pyruvate carboxylase 0.1552 0.3774 0.3758
Schistosoma mansoni hypothetical protein 0.0083 0.0148 0.0123
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0156 0.033 0.0332
Mycobacterium leprae conserved hypothetical protein 0.0156 0.033 0.0097
Mycobacterium tuberculosis Probable lipase LipE 0.0156 0.033 0.0097
Echinococcus granulosus tumor protein p63 0.0727 0.1737 0.1727
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1552 0.3774 0.3774
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0023 0.0011
Loa Loa (eye worm) hypothetical protein 0.0057 0.0085 0.0079
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3932 0.9648 1
Schistosoma mansoni chromobox protein 0.0078 0.0136 0.011
Echinococcus multilocularis lamin 0.0057 0.0085 0.0073
Brugia malayi beta-lactamase family protein 0.0156 0.033 0.0322
Schistosoma mansoni lamin 0.0057 0.0085 0.006
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0003
Loa Loa (eye worm) hypothetical protein 0.0148 0.0309 0.0311
Echinococcus multilocularis lamin dm0 0.0057 0.0085 0.0073
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0051 0.0039
Schistosoma mansoni hypothetical protein 0.0083 0.0148 0.0123
Loa Loa (eye worm) hypothetical protein 0.0034 0.0028 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.033 0.4674
Loa Loa (eye worm) hypothetical protein 0.0044 0.0051 0.0043
Toxoplasma gondii ABC1 family protein 0.0156 0.033 0.0304
Schistosoma mansoni hypothetical protein 0.0083 0.0148 0.0123
Loa Loa (eye worm) hypothetical protein 0.0148 0.0309 0.0311
Leishmania major carboxylase, putative 0.1552 0.3774 0.375
Brugia malayi glutaminase DH11.1 0.0305 0.0696 0.0703
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0116 0.0405
Schistosoma mansoni chromobox protein 0.0078 0.0136 0.011
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0552 0.1307 0.1284
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1552 0.3774 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0026 0.0014
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0026 0.0014
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0148 0.0136
Echinococcus multilocularis GPCR, family 2 0.0083 0.0148 0.0136
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0649 0.0637
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0143 0.0296 0.0259
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1552 0.3774 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0999 0.2409 0.6074
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0143 0.0296 0.0271
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0116 0.0104
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1552 0.3774 0.375
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.008 0.0063
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0143 0.0296 0.0259
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0143 0.0296 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0051 0.0632
Echinococcus multilocularis beta LACTamase domain containing family member 0.0156 0.033 0.0318
Loa Loa (eye worm) beta-lactamase 0.0156 0.033 0.0332
Mycobacterium ulcerans beta-lactamase 0.0156 0.033 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.002 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0442
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.236 0.2351
Onchocerca volvulus 0.0156 0.033 0.5311
Mycobacterium tuberculosis Conserved protein 0.0156 0.033 0.0097
Mycobacterium tuberculosis Probable esterase LipL 0.0156 0.033 0.0097
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.0063 0.0024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0262 0.059 0.0602
Leishmania major carbamoyl-phosphate synthase, putative 0.0351 0.081 0.0774
Brugia malayi Calcitonin receptor-like protein seb-1 0.0262 0.059 0.0592
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.0063 0.0071
Onchocerca volvulus 0.0264 0.0596 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.0063 0.0055
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0695 0.1659 1
Trypanosoma brucei hypothetical protein, conserved 0.0156 0.033 0.033
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0552 0.1307 0.1296
Schistosoma mansoni intermediate filament proteins 0.0057 0.0085 0.006
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0156 0.033 0.0097
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0133 0.0121
Echinococcus multilocularis Biotin lipoyl attachment 0.0143 0.0296 0.0284
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0143 0.0296 0.042
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0351 0.081 0.081
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0143 0.0296 0.0271
Plasmodium vivax hypothetical protein, conserved 0.0156 0.033 0.0422
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2949 0.7221 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0014 0.009
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0143 0.0296 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0051 0.0632
Loa Loa (eye worm) hypothetical protein 0.0143 0.0296 0.0297
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0143 0.0296 0.0375
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0148 0.0144
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2949 0.7221 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0133 0.0107
Loa Loa (eye worm) hypothetical protein 0.0179 0.0385 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0032 0.0353
Schistosoma mansoni hypothetical protein 0.0058 0.0088 0.0062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.0063 0.0044
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0156 0.033 0.0304
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0351 0.081 0.1258
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0552 0.1307 0.2905
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0262 0.059 0.0592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.008 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.008 0.0054
Onchocerca volvulus 0.0046 0.0057 0.0516
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0552 0.1307 0.1284
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.002 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0015 0.0101
Echinococcus multilocularis tumor protein p63 0.0727 0.1737 0.1727
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0156 0.033 0.0322
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0351 0.081 0.1476
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.002 0.0176
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0143 0.0296 0.0296
Trichomonas vaginalis chromobox protein, putative 0.0047 0.006 0.0751
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0143 0.0296 0.042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.008 0.0073
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0143 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0286 0.0649 0.0663
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0143 0.0296 0.0375
Echinococcus multilocularis musashi 0.0057 0.0085 0.0073
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0148 0.0133
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0143 0.0296 0.042
Brugia malayi Pre-SET motif family protein 0.0232 0.0517 0.0516
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0156 0.033 0.0304
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0008 0.0001
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Echinococcus granulosus transcription factor Dp 1 0.004 0.0044 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0133 0.0107
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0552 0.1307 0.2068
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0552 0.1307 0.2905
Onchocerca volvulus 0.0057 0.0085 0.101
Brugia malayi hypothetical protein 0.0148 0.0309 0.03
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0143 0.0296 0.0296
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0552 0.1307 0.2905
Brugia malayi chromobox protein homolog 3 0.0044 0.0051 0.0033
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0143 0.0296 0.0284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0008 0.0001
Echinococcus granulosus chromobox protein 1 0.0078 0.0136 0.0124
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1552 0.3774 0.3774
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1552 0.3774 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.0063 0.0071
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0552 0.1307 0.2905
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0156 0.033 0.0332
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0133 0.0128
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0143 0.0296 0.0271
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1552 0.3774 0.3767
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0143 0.0296 0.0271
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.033 0.4674
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.033 0.0475
Treponema pallidum pyruvate carboxylase subunit B 0.0143 0.0296 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0085 0.0079
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0156 0.033 0.0097
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0552 0.1307 0.1273
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.008 0.0068
Echinococcus multilocularis chromobox protein 1 0.0078 0.0136 0.0124
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0552 0.1307 0.1296
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0133 0.0107
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.0063 0.0024
Chlamydia trachomatis biotin carboxylase 0.1409 0.3422 1
Echinococcus granulosus Biotin lipoyl attachment 0.0143 0.0296 0.0284
Loa Loa (eye worm) hypothetical protein 0.0106 0.0206 0.0204
Mycobacterium ulcerans pyruvate carboxylase 0.1552 0.3774 1
Loa Loa (eye worm) glutaminase 2 0.0305 0.0696 0.0713
Toxoplasma gondii carbamoylphosphate synthetase 0.0351 0.081 0.0786
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0133 0.0128
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0143 0.0296 0.0259
Loa Loa (eye worm) hypothetical protein 0.0262 0.059 0.0602
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0085 0.0079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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