Detailed information for compound 1328594

Basic information

Technical information
  • TDR Targets ID: 1328594
  • Name: [4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 4-fluorobenzoate
  • MW: 368.358 | Formula: C20H17FN2O4
  • H donors: 0 H acceptors: 3 LogP: 3.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(c1ccnc(n1)c1ccc(cc1)OC(=O)c1ccc(cc1)F)OC
  • InChi: 1S/C20H17FN2O4/c1-25-20(26-2)17-11-12-22-18(23-17)13-5-9-16(10-6-13)27-19(24)14-3-7-15(21)8-4-14/h3-12,20H,1-2H3
  • InChiKey: WTYYCWMCUYJPSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-fluorobenzoic acid [4-[4-(dimethoxymethyl)-2-pyrimidinyl]phenyl] ester
  • 4-fluorobenzoic acid [4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] ester
  • 1R-0018
  • CDS1_001422
  • DivK1c_002462
  • 4-[4-(dimethoxymethyl)-2-pyrimidinyl]phenyl 4-fluorobenzenecarboxylate
  • MLS000721166
  • SMR000335589
  • ZINC01406350
  • Bionet1_003966

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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 japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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 multilocularis guanine nucleotide binding protein G(s) subunit 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0221 0.0748 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.0748 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0139 0.0309
Brugia malayi MH1 domain containing protein 0.0171 0.0543 0.0543
Loa Loa (eye worm) RNA binding protein 0.0793 0.3068 0.3068
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Echinococcus granulosus smad 0.0171 0.0543 0.1212
Brugia malayi MH1 domain containing protein 0.0094 0.0234 0.0234
Echinococcus granulosus mothers against decapentaplegic 5 0.0171 0.0543 0.1212
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0041 0.0041
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0742 0.2861 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.076 0.2932 0.6538
Trypanosoma brucei polo-like protein kinase 0.0098 0.0251 0.3098
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0221 0.0748 0.7576
Loa Loa (eye worm) MH1 domain-containing protein 0.0171 0.0543 0.0543
Schistosoma mansoni hypothetical protein 0.0331 0.1196 0.1838
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0049 0.0051 0.0114
Loa Loa (eye worm) TAR-binding protein 0.0793 0.3068 0.3068
Brugia malayi G-protein alpha subunit 0.0049 0.0051 0.0051
Brugia malayi MH2 domain containing protein 0.0171 0.0543 0.0543
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.005 0.0218
Echinococcus multilocularis mothers against decapentaplegic 2 0.0076 0.0161 0.0359
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0049 0.0051 0.0232
Echinococcus granulosus mothers against decapentaplegic 6 0.0076 0.0161 0.0359
Brugia malayi hypothetical protein 0.0464 0.1735 0.1735
Brugia malayi hypothetical protein 0.0103 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1142 0.4485 0.6892
Schistosoma mansoni DNA polymerase eta 0.0047 0.0041 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0139 0.0309
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0049 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0072 0.0143 0.022
Echinococcus multilocularis expressed protein 0.0049 0.0051 0.0114
Schistosoma mansoni hypothetical protein 0.1641 0.6507 1
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0049 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0071 0.0139 0.4376
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.0748 0.1668
Echinococcus multilocularis isocitrate dehydrogenase 0.0221 0.0748 0.1668
Loa Loa (eye worm) hypothetical protein 0.2401 0.9587 0.9587
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.0251 0.056
Brugia malayi TAR-binding protein 0.0793 0.3068 0.3068
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.076 0.2932 0.2932
Onchocerca volvulus 0.0049 0.0051 0.0178
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0221 0.0748 0.115
Onchocerca volvulus 0.0049 0.0051 0.0178
Brugia malayi Isocitrate dehydrogenase 0.0221 0.0748 0.0748
Echinococcus granulosus GPCR family 2 0.076 0.2932 0.6538
Schistosoma mansoni glutaminase 0.0285 0.1007 0.1548
Echinococcus multilocularis dna polymerase eta 0.0047 0.0041 0.0093
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.0748 0.1668
Schistosoma mansoni Smad4 0.0076 0.0161 0.0247
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0049 0.0051 0.0114
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0161 0.0161
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1142 0.4485 1
Loa Loa (eye worm) hypothetical protein 0.076 0.2932 0.2932
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0049 0.0051 0.0078
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.0251 1
Brugia malayi MH2 domain containing protein 0.0171 0.0543 0.0543
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0028 0.0063
Brugia malayi Latrophilin receptor protein 2 0.076 0.2932 0.2932
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0221 0.0748 1
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0049 0.0051 0.0051
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0049 0.0051 0.0051
Onchocerca volvulus 0.0464 0.1735 0.6065
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0221 0.0748 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0049 0.0051 0.0051
Echinococcus multilocularis geminin 0.0331 0.1196 0.2667
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0076 0.0161 0.0563
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0049 0.0051 0.0078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.0748 0.1668
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Schistosoma mansoni smad1 5 8 and 0.0171 0.0543 0.0835
Echinococcus multilocularis tar DNA binding protein 0.0793 0.3068 0.6841
Brugia malayi MH2 domain containing protein 0.0076 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.076 0.2932 0.4506
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0049 0.0051 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1142 0.4485 0.6892
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0049 0.0051 0.0051
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0028 0.0028
Schistosoma mansoni smad 0.0171 0.0543 0.0835
Brugia malayi latrophilin 2 splice variant baaae 0.1641 0.6507 0.6507
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.0251 0.0251
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.076 0.2932 0.6538
Loa Loa (eye worm) hypothetical protein 0.0464 0.1735 0.1735
Schistosoma mansoni tar DNA-binding protein 0.0793 0.3068 0.4715
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0049 0.0051 0.0078
Loa Loa (eye worm) isocitrate dehydrogenase 0.0221 0.0748 0.0748
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0049 0.0051 0.0232
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Schistosoma mansoni tar DNA-binding protein 0.0793 0.3068 0.4715
Trypanosoma cruzi PAB1-binding protein , putative 0.016 0.0501 0.6573
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0221 0.0748 0.1668
Brugia malayi RNA recognition motif domain containing protein 0.0793 0.3068 0.3068
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0049 0.0051 0.0078
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0049 0.0051 0.0232
Echinococcus multilocularis mothers against decapentaplegic 6 0.0076 0.0161 0.0359
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2401 0.9587 0.9587
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0049 0.0051 0.0078
Brugia malayi Smad1 0.0171 0.0543 0.0543
Entamoeba histolytica hypothetical protein 0.0071 0.0139 0.4376
Brugia malayi beta-lactamase family protein 0.0043 0.0028 0.0028
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0028 0.5
Brugia malayi hypothetical protein 0.016 0.0501 0.0501
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.0251 0.3098
Schistosoma mansoni hypothetical protein 0.076 0.2932 0.4506
Loa Loa (eye worm) hypothetical protein 0.016 0.0501 0.0501
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0171 0.0543 0.0835
Schistosoma mansoni smad 0.0076 0.0161 0.0247
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0049 0.0051 0.0114
Loa Loa (eye worm) G protein alpha subunit 3 0.0049 0.0051 0.0051
Echinococcus multilocularis Smad4 0.0171 0.0543 0.1212
Echinococcus granulosus expressed protein 0.0049 0.0051 0.0114
Schistosoma mansoni hypothetical protein 0.076 0.2932 0.4506
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.0051
Loa Loa (eye worm) latrophilin receptor protein 2 0.076 0.2932 0.2932
Mycobacterium leprae Probable lipase LipE 0.0043 0.0028 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0049 0.0051 0.0051
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0049 0.0051 0.0114
Onchocerca volvulus 0.0043 0.0028 0.0099
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0049 0.0051 0.0078
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0049 0.0051 0.0051
Brugia malayi Calcitonin receptor-like protein seb-1 0.2401 0.9587 0.9587
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.0251 0.3098
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0041 0.0184
Loa Loa (eye worm) hypothetical protein 0.0742 0.2861 0.2861
Giardia lamblia Kinase, PLK 0.0098 0.0251 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0171 0.0543 0.1212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0028 0.0043
Schistosoma mansoni hypothetical protein 0.0331 0.1196 0.1838
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1142 0.4485 1
Onchocerca volvulus 0.0043 0.0028 0.0099
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.0051
Brugia malayi isocitrate dehydrogenase 0.0221 0.0748 0.0748
Loa Loa (eye worm) nuclear factor I 0.0094 0.0234 0.0234
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0028 0.0043
Loa Loa (eye worm) glutaminase 0.0285 0.1007 0.1007
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.076 0.2932 0.6538
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0049 0.0051 0.0114
Entamoeba histolytica hypothetical protein 0.0071 0.0139 0.4376
Onchocerca volvulus 0.0043 0.0028 0.0099
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0028 0.0028
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0049 0.0051 0.0232
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0049 0.0051 0.0051
Echinococcus multilocularis smad 0.0171 0.0543 0.1212
Brugia malayi RNA binding protein 0.0793 0.3068 0.3068
Entamoeba histolytica hypothetical protein 0.0071 0.0139 0.4376
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0049 0.0051 0.0078
Brugia malayi beta-lactamase family protein 0.0043 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0094 0.0234 0.0234
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0072 0.0143 0.0319
Brugia malayi hypothetical protein 0.0071 0.0139 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1142 0.4485 1
Brugia malayi hypothetical protein 0.0049 0.0051 0.0051
Mycobacterium ulcerans glutaminase 0.0285 0.1007 1
Toxoplasma gondii isocitrate dehydrogenase 0.0221 0.0748 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.0748 1
Toxoplasma gondii LsmAD domain-containing protein 0.016 0.0501 0.6702
Toxoplasma gondii isocitrate dehydrogenase 0.0221 0.0748 1
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0139 0.0213
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0049 0.0051 0.0051
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.0251 0.3098
Brugia malayi N-terminal motif family protein 0.0742 0.2861 0.2861
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0221 0.0748 0.1668
Trypanosoma brucei PAB1-binding protein , putative 0.016 0.0501 0.6573
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.0748 1
Loa Loa (eye worm) Smad1 0.0171 0.0543 0.0543
Echinococcus multilocularis GPCR, family 2 0.076 0.2932 0.6538
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1142 0.4485 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0221 0.0748 1
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0049 0.0051 0.0051
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.005 0.0218
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.0051
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0049 0.0051 0.0114
Loa Loa (eye worm) beta-lactamase 0.0043 0.0028 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1142 0.4485 0.6892
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.0051
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0049 0.0051 0.0078
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.0051
Echinococcus granulosus mothers against decapentaplegic 2 0.0076 0.0161 0.0359
Leishmania major DNA polymerase eta, putative 0.0047 0.0041 0.0184
Schistosoma mansoni GTP-binding protein alpha subunit 0.0049 0.0051 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0049 0.0051 0.0051
Trichomonas vaginalis glutaminase, putative 0.0285 0.1007 1
Schistosoma mansoni tar DNA-binding protein 0.0793 0.3068 0.4715
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0793 0.3068 0.3068
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0049 0.0051 0.0114
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0072 0.0143 0.0319
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.076 0.2932 0.6538
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1142 0.4485 0.4485
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0049 0.0051 0.0232
Leishmania major hypothetical protein, conserved 0.016 0.0501 0.6573
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0049 0.0051 0.0114
Schistosoma mansoni smad1 5 8 and 0.0171 0.0543 0.0835
Schistosoma mansoni Smad4 0.0076 0.0161 0.0247
Schistosoma mansoni GTP-binding protein alpha subunit 0.0049 0.0051 0.0078
Echinococcus granulosus tar DNA binding protein 0.0793 0.3068 0.6841
Echinococcus granulosus Smad4 0.0171 0.0543 0.1212
Trypanosoma cruzi PAB1-binding protein , putative 0.016 0.0501 0.6573
Onchocerca volvulus 0.0049 0.0051 0.0178
Brugia malayi glutaminase DH11.1 0.0285 0.1007 0.1007
Loa Loa (eye worm) MH2 domain-containing protein 0.2503 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0028 0.0028
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0049 0.0051 0.0051
Echinococcus multilocularis mothers against decapentaplegic 5 0.0171 0.0543 0.1212
Brugia malayi beta-lactamase 0.0043 0.0028 0.0028
Schistosoma mansoni kinase 0.005 0.0055 0.0084
Brugia malayi MH1 domain containing protein 0.0094 0.0234 0.0234
Schistosoma mansoni tar DNA-binding protein 0.0793 0.3068 0.4715
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0049 0.0051 0.0232
Echinococcus granulosus dna polymerase eta 0.0047 0.0041 0.0093
Loa Loa (eye worm) hypothetical protein 0.0076 0.0161 0.0161
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0049 0.0051 0.0232
Brugia malayi MH1 domain containing protein 0.0171 0.0543 0.0543
Loa Loa (eye worm) transcription factor SMAD2 0.2503 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0049 0.0051 0.0078
Echinococcus granulosus TGF beta signal transducer SmadC 0.0171 0.0543 0.1212
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0028 0.0063
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.0251 0.0878
Echinococcus granulosus geminin 0.0331 0.1196 0.2667
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0251 0.2277
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2401 0.9587 0.9587
Schistosoma mansoni Smad4 0.0171 0.0543 0.0835
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0049 0.0051 0.0232
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0041 0.0184
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.0251 0.056
Brugia malayi mothers against decapentaplegic homolog 3 0.0076 0.0161 0.0161
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.0251 0.0251
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0049 0.0051 0.0114
Loa Loa (eye worm) hypothetical protein 0.0047 0.0041 0.0041
Loa Loa (eye worm) MH2 domain-containing protein 0.0171 0.0543 0.0543
Schistosoma mansoni hypothetical protein 0.0071 0.0139 0.0213
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0978 1
Schistosoma mansoni smad1 5 8 and 0.0171 0.0543 0.0835
Schistosoma mansoni hypothetical protein 0.076 0.2932 0.4506
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1142 0.4485 0.4485
Loa Loa (eye worm) hypothetical protein 0.1641 0.6507 0.6507
Plasmodium vivax ataxin-2 like protein, putative 0.016 0.0501 0.6573
Schistosoma mansoni tar DNA-binding protein 0.0793 0.3068 0.4715
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0049 0.0051 0.0114
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0049 0.0051 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.0251 0.0386
Toxoplasma gondii ABC1 family protein 0.0043 0.0028 0.0377
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0161 0.0161
Loa Loa (eye worm) glutaminase 2 0.0285 0.1007 0.1007

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0033 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) 0.7375 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) 0.8913 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) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 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
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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