Detailed information for compound 1350139

Basic information

Technical information
  • TDR Targets ID: 1350139
  • Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2, 3-dihydro-1H-carbazol-4-one hydrate hydrochlo ride
  • MW: 347.839 | Formula: C18H22ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C.Cl.O
  • InChi: 1S/C18H19N3O.ClH.H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;1H2
  • InChiKey: WRZJOBREMUDSSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrate hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis sulfhydryl oxidase 1 0.0027 0.0508 0.0494
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.1872 0.1828
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0172 0.4012 0.4003
Mycobacterium ulcerans beta-lactamase 0.0035 0.0689 0.1082
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1222 0.2515
Echinococcus granulosus carbonic anhydrase 0.0084 0.1872 0.1859
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Loa Loa (eye worm) RNA binding protein 0.0066 0.1446 0.1397
Mycobacterium tuberculosis Conserved protein 0.0035 0.0689 0.0816
Loa Loa (eye worm) hypothetical protein 0.006 0.1302 0.1252
Loa Loa (eye worm) Erv1/Alr family protein 0.0027 0.0508 0.0454
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0285 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.5232 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0439 0.0415
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1302 0.1255
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0285 0.027
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0306 0.0292
Echinococcus granulosus cpg binding protein 0.003 0.0567 0.0553
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.3261 0.3225
Echinococcus granulosus GPCR family 2 0.0019 0.0306 0.0292
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0306 0.0254
Toxoplasma gondii hypothetical protein 0.0084 0.1872 0.4257
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Echinococcus granulosus carbonic anhydrase II 0.0178 0.4159 0.415
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0965 0.0952
Mycobacterium ulcerans lipase LipD 0.0035 0.0689 0.1082
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0172 0.4012 0.9622
Toxoplasma gondii Erv1 / Alr family protein 0.0027 0.0508 0.0598
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1872 0.1859
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.3165 0.3155
Leishmania major hypothetical protein, conserved 0.0025 0.0439 0.0399
Schistosoma mansoni hypothetical protein 0.0011 0.0112 0.0097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2096 0.2084
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Leishmania major hypothetical protein, conserved 0.0035 0.0689 0.1042
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1872 0.1828
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0689 0.1042
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0965 0.0952
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.3261 0.3251
Echinococcus granulosus solute carrier family 5 0.0046 0.0965 0.0952
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0027 0.0508 0.0575
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0178 0.4159 0.4127
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0689 0.0821
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0439 0.0415
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1446 0.1433
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0689 0.0816
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0689 0.1042
Toxoplasma gondii Erv1 / Alr family protein 0.0172 0.4012 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.1872 0.1828
Loa Loa (eye worm) hypothetical protein 0.0041 0.0841 0.0789
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0689 0.1082
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0306 0.0292
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0689 0.1082
Onchocerca volvulus 0.0028 0.0528 0.0441
Onchocerca volvulus 0.0046 0.0965 1
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1872 0.1859
Brugia malayi beta-lactamase 0.0035 0.0689 0.0638
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0965 0.0916
Brugia malayi quiescin Q6 0.0027 0.0508 0.0456
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0439 0.0399
Schistosoma mansoni cpg binding protein 0.003 0.0567 0.0553
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0057 0.0042
Loa Loa (eye worm) hypothetical protein 0.0084 0.1872 0.1825
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0689 0.0638
Schistosoma mansoni cpg binding protein 0.003 0.0567 0.0553
Onchocerca volvulus 0.0035 0.0689 0.3951
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0439 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2096 0.2084
Schistosoma mansoni inositol transporter 0.0046 0.0965 0.0952
Leishmania major carbonic anhydrase-like protein 0.0178 0.4159 1
Brugia malayi hypothetical protein 0.0025 0.0439 0.0388
Loa Loa (eye worm) carbonic anhydrase 3 0.0178 0.4159 0.4126
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1446 0.1397
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1446 0.1397
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.085 0.1014
Loa Loa (eye worm) hypothetical protein 0.0084 0.1872 0.1825
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0508 0.0598
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0689 0.0675
Brugia malayi RNA binding protein 0.0066 0.1446 0.14
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.8384 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1446 0.1433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2096 0.2084
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0965 0.0952
Echinococcus granulosus carbonic anhydrase 0.0084 0.1872 0.1859
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0285 0.034
Schistosoma mansoni quiescin q6-related sulfhydryl oxidase 0.0027 0.0508 0.0494
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0689 0.0816
Schistosoma mansoni hypothetical protein 0.0041 0.0841 0.0827
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8384 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0689 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1446 0.1433
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0172 0.4012 0.9622
Echinococcus multilocularis solute carrier family 5 0.0046 0.0965 0.0952
Loa Loa (eye worm) quiescin Q6 0.0027 0.0508 0.0454
Brugia malayi CXXC zinc finger family protein 0.0028 0.0528 0.0477
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0965 0.0952
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0766 0.0594
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8384 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0965 0.0952
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Loa Loa (eye worm) beta-lactamase 0.0035 0.0689 0.0636
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0965 0.0952
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0689 0.0636
Loa Loa (eye worm) hepatopoietin HPO2 0.0172 0.4012 0.3978
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.085 0.1516
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1872 0.1859
Loa Loa (eye worm) hypothetical protein 0.0019 0.0306 0.0251
Loa Loa (eye worm) acetyltransferase 0.0141 0.3261 0.3223
Trypanosoma brucei carbonic anhydrase-like protein 0.0178 0.4159 1
Echinococcus granulosus carbonic anhydrase 0.0084 0.1872 0.1859
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0689 0.0816
Brugia malayi beta-lactamase family protein 0.0035 0.0689 0.0638
Echinococcus granulosus geminin 0.0205 0.4796 0.4788
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0689 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1446 0.1433
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0766 0.1291
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0172 0.4012 0.9622
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1872 0.1859
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0439 0.0415
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0689 0.1083
Brugia malayi hypothetical protein 0.0016 0.0229 0.0176
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0178 0.4159 0.415
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0689 0.0816
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0057 0.0042
Echinococcus multilocularis geminin 0.0205 0.4796 0.4788
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0689 0.0821
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0689 0.0816
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.3261 0.3251
Schistosoma mansoni hypothetical protein 0.0019 0.0306 0.0292
Echinococcus granulosus sulfhydryl oxidase 1 0.0027 0.0508 0.0494
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0178 0.4159 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1446 0.1433
Schistosoma mansoni ap endonuclease 0.0018 0.0285 0.027
Loa Loa (eye worm) hypothetical protein 0.0027 0.0508 0.0454
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0027 0.0508 0.0575
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0306 0.0292
Brugia malayi Erv1 / Alr family protein 0.0027 0.0508 0.0456
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.085 0.1014
Schistosoma mansoni inositol transporter 0.0046 0.0965 0.0952
Onchocerca volvulus 0.0035 0.0689 0.3951
Schistosoma mansoni cpg binding protein 0.0028 0.0528 0.0514
Schistosoma mansoni hypothetical protein 0.0019 0.0306 0.0292
Echinococcus multilocularis high affinity choline transporter 1 0.042 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.8384 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0439 0.0399
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.2096 0.2051
Schistosoma mansoni high-affinity choline transporter 0.042 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0689 0.0675
Loa Loa (eye worm) hypothetical protein 0.0025 0.0439 0.0385
Schistosoma mansoni sodium/solute symporter 0.0046 0.0965 0.0952
Brugia malayi beta-lactamase family protein 0.0035 0.0689 0.0638
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0965 0.0952
Trichomonas vaginalis esterase, putative 0.0035 0.0689 0.0821
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1302 0.1252
Onchocerca volvulus 0.0035 0.0689 0.3951
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0306 0.0254
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0172 0.4012 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0172 0.4012 0.9622
Echinococcus granulosus tar DNA binding protein 0.0066 0.1446 0.1433
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0027 0.0508 0.0598
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.2096 0.2053
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1302 0.1255
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0285 0.027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2096 0.2084
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0689 0.0675
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1446 0.1433
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0689 0.0675
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0178 0.4159 0.4127
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4016 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1446 0.14
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0178 0.4159 1
Echinococcus granulosus high affinity choline transporter 1 0.042 1 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0172 0.4012 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0965 0.0914
Schistosoma mansoni hypothetical protein 0.0019 0.0306 0.0292
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0285 0.034
Mycobacterium tuberculosis Conserved protein 0.0035 0.0689 0.0816
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0965 0.1826
Echinococcus multilocularis carbonic anhydrase II 0.0178 0.4159 0.415
Plasmodium falciparum carbonic anhydrase 0.0084 0.1872 0.4257
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4016 0.7542
Brugia malayi TAR-binding protein 0.0066 0.1446 0.14
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0528 0.0474
Trypanosoma brucei quiescin sulfhydryl oxidase 0.0027 0.0508 0.0575
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1872 0.1828
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0112 0.0097
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0306 0.0292
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0084 0.1872 0.1825
Loa Loa (eye worm) hypothetical protein 0.0084 0.1872 0.1825
Schistosoma mansoni ap endonuclease 0.0018 0.0285 0.027
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0689 0.0816
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.085 0.0836
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0766 0.0594
Loa Loa (eye worm) hypothetical protein 0.0027 0.0508 0.0454
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0285 0.023
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1293 0.128
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.085 0.1516
Brugia malayi Augmenter of liver regeneration 0.0172 0.4012 0.398
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0841 0.0791
Toxoplasma gondii ABC1 family protein 0.0035 0.0689 0.1083
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8384 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0112 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0689 0.1042
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0689 0.0821
Echinococcus multilocularis cpg binding protein 0.003 0.0567 0.0553
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.085 0.1516
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1872 0.1859
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0439 0.0399
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2096 0.2084
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1872 0.1828
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2096 0.2084
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0285 0.0232
Schistosoma mansoni carbonic anhydrase 0.0084 0.1872 0.1859
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0172 0.4012 0.4003
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1872 0.1859
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0178 0.4159 0.4126
Schistosoma mansoni hypothetical protein 0.0205 0.4796 0.4788
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0306 0.0251
Loa Loa (eye worm) hypothetical protein 0.0035 0.0689 0.0636
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4016 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0689 0.0821
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2096 0.2084
Loa Loa (eye worm) hypothetical protein 0.042 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0689 0.0821
Schistosoma mansoni hypothetical protein 0.0084 0.1872 0.1859
Schistosoma mansoni hypothetical protein 0.0019 0.0306 0.0292
Toxoplasma gondii Erv1 / Alr family protein 0.0172 0.4012 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0689 0.1082
Leishmania major hypothetical protein, conserved 0.0172 0.4012 0.9622
Echinococcus multilocularis GPCR, family 2 0.0019 0.0306 0.0292
Schistosoma mansoni hypothetical protein 0.0205 0.4796 0.4788
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0178 0.4159 0.415

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] 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.
 
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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