Detailed information for compound 1320286

Basic information

Technical information
  • TDR Targets ID: 1320286
  • Name: N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimida zol-2-yl]propyl]cyclohexanecarboxamide
  • MW: 403.56 | Formula: C26H33N3O
  • H donors: 1 H acceptors: 2 LogP: 5.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)Cn1c(CCCNC(=O)C2CCCCC2)nc2c1cccc2)C
  • InChi: 1S/C26H33N3O/c1-19-14-15-20(2)22(17-19)18-29-24-12-7-6-11-23(24)28-25(29)13-8-16-27-26(30)21-9-4-3-5-10-21/h6-7,11-12,14-15,17,21H,3-5,8-10,13,16,18H2,1-2H3,(H,27,30)
  • InChiKey: ORDSVNGLCOGWFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[1-[(2,5-dimethylphenyl)methyl]-2-benzimidazolyl]propyl]cyclohexanecarboxamide
  • N-[3-[1-(2,5-dimethylbenzyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
  • ST5330157
  • D011-0302
  • NCGC00114747-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Mycobacterium ulcerans amidase 0.0052 0.0435 0.1295
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0367 0.2227
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0617 0.0607
Mycobacterium ulcerans peptide amidase, GatA 0.0052 0.0435 0.1295
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0329 0.0971
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0329 0.0724
Schistosoma mansoni hypothetical protein 0.0062 0.0564 0.0553
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0033
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0528 0.1179
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0528 0.0517
Brugia malayi putative amidase 0.0052 0.0435 0.0836
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Brugia malayi glutaminase DH11.1 0.0266 0.3138 0.6032
Trypanosoma cruzi amidase, putative 0.0052 0.0435 0.0966
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0329 0.0971
Mycobacterium leprae Probable lipase LipE 0.0043 0.0329 0.0447
Loa Loa (eye worm) hypothetical protein 0.0187 0.214 0.411
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0367 0.0364
Loa Loa (eye worm) hypothetical protein 0.0231 0.2686 0.5161
Brugia malayi CXXC zinc finger family protein 0.0057 0.0498 0.0958
Loa Loa (eye worm) TAR-binding protein 0.0062 0.056 0.1072
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.002 0.0009
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0435 0.0424
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0238 0.0328
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0062 0.0564 0.0561
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0366 0.4396 0.845
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0238 0.0695
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0052 0.0435 0.1295
Echinococcus granulosus GPCR family 2 0.0062 0.0564 0.0561
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.056 0.1072
Mycobacterium tuberculosis Possible lysophospholipase 0.0217 0.252 0.7668
Echinococcus granulosus fatty acid amide hydrolase 1 0.043 0.5202 0.5201
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0217 0.252 0.3616
Schistosoma mansoni tar DNA-binding protein 0.0062 0.056 0.055
Mycobacterium ulcerans hypothetical protein 0.0043 0.0329 0.0971
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0528 0.158
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0367 0.0364
Mycobacterium ulcerans hypothetical protein 0.0217 0.252 0.7668
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.1035 0.1033
Schistosoma mansoni cpg binding protein 0.006 0.0539 0.0529
Loa Loa (eye worm) RNA binding protein 0.0062 0.056 0.1072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.1303 0.1293
Leishmania major DNA polymerase kappa, putative 0.0019 0.002 0.002
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.1035 0.1033
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.1807 0.5491
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0518
Schistosoma mansoni fatty-acid amide hydrolase 0.0052 0.0435 0.0424
Brugia malayi Amidase family protein 0.0052 0.0435 0.0836
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0367 0.0356
Mycobacterium ulcerans glutaminase 0.0266 0.3138 0.9557
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.2136 0.2133
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0329 0.0971
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0278 0.3282 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0322 0.0708
Echinococcus multilocularis fatty acid amide hydrolase 1 0.043 0.5202 0.5201
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.002 0.0013
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0329 0.0632
Schistosoma mansoni tar DNA-binding protein 0.0062 0.056 0.055
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0329 0.1266
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.002
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0011 0.0016
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0217 0.252 0.3616
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0217 0.252 0.3616
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.019 0.0548
Schistosoma mansoni hypothetical protein 0.0286 0.3388 0.3381
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0528 0.158
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1602 0.3627
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.252 0.3616
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0329 0.0627
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0518
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.0617 0.0874
Loa Loa (eye worm) amidase 0.0052 0.0435 0.0831
Brugia malayi TAR-binding protein 0.0062 0.056 0.1077
Brugia malayi Amidase family protein 0.0052 0.0435 0.0836
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0217 0.252 0.3616
Brugia malayi RNA binding protein 0.0062 0.056 0.1077
Mycobacterium ulcerans beta-lactamase 0.0043 0.0329 0.0971
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0238 0.5365
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0329 0.0458
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0322 0.0708
Brugia malayi beta-lactamase 0.0043 0.0329 0.0632
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.002 0.0039
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1035 0.1025
Echinococcus multilocularis tar DNA binding protein 0.0062 0.056 0.0558
Schistosoma mansoni cpg binding protein 0.006 0.0539 0.0529
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0052 0.0435 0.1295
Brugia malayi mbt repeat family protein 0.0046 0.0367 0.0705
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0052 0.0435 0.1295
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0238 0.0236
Giardia lamblia DINP protein human, muc B family 0.0019 0.002 0.0013
Echinococcus granulosus fatty acid amide hydrolase 1 0.0052 0.0435 0.0432
Echinococcus multilocularis GPCR, family 2 0.0062 0.0564 0.0561
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2686 0.2684
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0458
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0617 0.0607
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0329 0.0318
Brugia malayi beta-lactamase family protein 0.0043 0.0329 0.0632
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0278 0.3282 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0448 0.0445
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.002 0.0039
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0329 0.0326
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0011 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Loa Loa (eye worm) MBCTL1 0.0053 0.0448 0.0856
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.079 0.9743 0.9743
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0591 0.0589
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0343 0.0658
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0217 0.252 0.3616
Trypanosoma brucei monoglyceride lipase, putative 0.0217 0.252 0.5721
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0528 0.158
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0343 0.034
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0448 0.0437
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0528 0.0525
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.002 0.0027
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0435 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0052 0.0435 0.1295
Loa Loa (eye worm) hypothetical protein 0.0066 0.0617 0.1182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0343 0.0332
Mycobacterium ulcerans lysophospholipase 0.0217 0.252 0.7668
Schistosoma mansoni glutaminase 0.0266 0.3138 0.313
Loa Loa (eye worm) glutaminase 2 0.0266 0.3138 0.6029
Schistosoma mansoni tar DNA-binding protein 0.0062 0.056 0.055
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0435 0.0611
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0329 0.0447
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.002 0.0009
Schistosoma mansoni hypothetical protein 0.0165 0.1856 0.1847
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0238 0.0328
Onchocerca volvulus 0.0046 0.0367 0.2227
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0217 0.252 0.7533
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0971
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0528 0.0517
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1035 0.1025
Echinococcus multilocularis geminin 0.0165 0.1856 0.1854
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0329 0.0724
Plasmodium falciparum lysophospholipase, putative 0.0217 0.252 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.002 0.0027
Echinococcus multilocularis dnaJ subfamily B 0.0811 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3282 0.9998
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0329 0.0971
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0238 0.0236
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0052 0.0435 0.079
Echinococcus granulosus dna polymerase eta 0.0019 0.002 0.0017
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0329 0.0724
Loa Loa (eye worm) hypothetical protein 0.0053 0.0448 0.0856
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0367 0.0364
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0329 0.0326
Schistosoma mansoni inositol monophosphatase 0.0036 0.0238 0.0228
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.002 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0062 0.056 0.055
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0011 0.0021
Onchocerca volvulus 0.0057 0.0498 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0528 0.158
Schistosoma mansoni hypothetical protein 0.0062 0.0564 0.0553
Brugia malayi Latrophilin receptor protein 2 0.0062 0.0564 0.1084
Loa Loa (eye worm) amidase 0.0052 0.0435 0.0831
Loa Loa (eye worm) beta-lactamase 0.0043 0.0329 0.0627
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0329 0.0458
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0591 0.1137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Echinococcus granulosus transcription factor Dp 1 0.0037 0.025 0.0247
Loa Loa (eye worm) hypothetical protein 0.0134 0.1473 0.2827
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0062 0.0564 0.0561
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0196 0.2256 0.4334
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0329 0.0971
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0569 0.6949 1
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0367 0.0356
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0329 0.0318
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0217 0.252 0.3616
Treponema pallidum fructose-bisphosphate aldolase 0.0569 0.6949 1
Schistosoma mansoni hypothetical protein 0.0062 0.0564 0.0553
Loa Loa (eye worm) hypothetical protein 0.0062 0.0564 0.1079
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0052 0.0435 0.1689
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.0564 0.1079
Brugia malayi amidase 0.043 0.5202 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0322 0.0708
Plasmodium falciparum lysophospholipase, putative 0.0217 0.252 1
Loa Loa (eye worm) glutaminase 0.0266 0.3138 0.6029
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0052 0.0435 0.079
Mycobacterium ulcerans hypothetical protein 0.0161 0.1807 0.5491
Trypanosoma brucei C-8 sterol isomerase, putative 0.0366 0.4396 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0518
Leishmania major hypothetical protein, conserved 0.0043 0.0329 0.0724
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0343 0.034
Trypanosoma brucei unspecified product 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0448 0.0445
Mycobacterium ulcerans amidase 0.0052 0.0435 0.1295
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0052 0.0435 0.0432
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0217 0.252 0.3616
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0278 0.3282 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0343 0.0332
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0343 0.0653
Plasmodium falciparum lysophospholipase, putative 0.0217 0.252 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0052 0.0435 0.0966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0343 0.0332
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0448 0.0861
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.3628 0.8248
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0518
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.002 0.0033
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0458
Schistosoma mansoni fatty-acid amide hydrolase 0.043 0.5202 0.5197
Loa Loa (eye worm) hypothetical protein 0.0196 0.2256 0.4334
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1035 0.1025
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0591 0.0836
Schistosoma mansoni survival motor neuron protein 0.0047 0.0373 0.0363
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Schistosoma mansoni amidase 0.043 0.5202 0.5197
Schistosoma mansoni hypothetical protein 0.0047 0.0373 0.0363
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.002 0.0013
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0367 0.0356
Plasmodium falciparum esterase, putative 0.0217 0.252 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0971
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0062 0.0564 0.0561
Loa Loa (eye worm) hypothetical protein 0.0046 0.0367 0.07
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Echinococcus granulosus fatty acid amide hydrolase 1 0.043 0.5202 0.5201
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.002
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.0564 0.1084
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.002
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0238 0.0328
Mycobacterium ulcerans amidase 0.0052 0.0435 0.1295
Brugia malayi mbt repeat family protein 0.0046 0.0367 0.0705
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.002 0.0013
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1035 0.1025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0343 0.034
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0591 0.1132
Echinococcus granulosus cpg binding protein 0.006 0.0539 0.0537
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0591 0.1323
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0591 0.0581
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0238 0.0328
Toxoplasma gondii melibiase subfamily protein 0.01 0.1035 0.9069
Echinococcus granulosus tar DNA binding protein 0.0062 0.056 0.0558
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.044 0.0978
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0591 0.0589
Trypanosoma cruzi amidase, putative 0.0052 0.0435 0.0966
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0367 0.0364
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0435 0.1689
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0448 0.0445
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1602 0.3627
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0322 0.0708
Loa Loa (eye worm) hypothetical protein 0.043 0.5202 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.3628 0.8248
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Echinococcus granulosus geminin 0.0165 0.1856 0.1854
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.252 0.3616
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.025 0.0247
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0367 0.07
Mycobacterium ulcerans lipase LipD 0.0043 0.0329 0.0971
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0569 0.6949 1
Onchocerca volvulus 0.0047 0.0373 0.2631
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0528 0.4578
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.3628 0.8248
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Echinococcus multilocularis dna polymerase kappa 0.0019 0.002 0.0017
Trichomonas vaginalis glutaminase, putative 0.0266 0.3138 0.4506
Loa Loa (eye worm) inositol-1 0.0036 0.0238 0.0453
Echinococcus granulosus dna polymerase kappa 0.0019 0.002 0.0017
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0011 0.0008
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0329 0.0971
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.002 0.002
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0329 0.0971
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Trypanosoma brucei monoglyceride lipase, putative 0.0217 0.252 0.5721
Leishmania major DNA polymerase eta, putative 0.0019 0.002 0.002
Echinococcus multilocularis cpg binding protein 0.006 0.0539 0.0537
Brugia malayi latrophilin 2 splice variant baaae 0.0134 0.1473 0.2831
Leishmania major hypothetical protein, conserved 0.0052 0.0435 0.0966
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0062 0.0564 0.0553
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0591 0.1323
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0448 0.0445
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0591 0.1323
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0971
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Brugia malayi beta-lactamase family protein 0.0043 0.0329 0.0632
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0591 0.1323
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0528 0.0525
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0052 0.0435 0.1295
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0238 0.2013
Schistosoma mansoni hypothetical protein 0.0811 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0108 0.114 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.002 0.0027
Schistosoma mansoni hypothetical protein 0.0134 0.1473 0.1463
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0196 0.2256 0.4337
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.2136 0.2133
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Toxoplasma gondii ABC1 family protein 0.0043 0.0329 0.2814
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0366 0.4396 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.056 0.055
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.002
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.3628 0.8248
Brugia malayi hypothetical protein 0.0231 0.2686 0.5164
Brugia malayi Inositol-1 0.0036 0.0238 0.0458
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0435 0.1295
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.1602 0.3627
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0329 0.0971
Giardia lamblia Fructose-bisphosphate aldolase 0.0569 0.6949 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0435 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.0329 0.0458
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0329 0.0971
Mycobacterium ulcerans amidase 0.0052 0.0435 0.1295
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.056 0.1077
Mycobacterium ulcerans amidase 0.0052 0.0435 0.1295
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0062 0.0564 0.0561
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0217 0.252 0.3616
Brugia malayi Calcitonin receptor-like protein seb-1 0.0196 0.2256 0.4337
Schistosoma mansoni cpg binding protein 0.0057 0.0498 0.0488
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2686 0.2684
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0373 0.0718
Echinococcus multilocularis dna polymerase eta 0.0019 0.002 0.0017
Leishmania major monoglyceride lipase, putative 0.0217 0.252 0.5721
Echinococcus multilocularis fatty acid amide hydrolase 1 0.043 0.5202 0.5201
Brugia malayi Melibiase family protein 0.0066 0.0617 0.1187
Toxoplasma gondii hypothetical protein 0.0049 0.0401 0.3456
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0052 0.0435 0.0432
Schistosoma mansoni DNA polymerase eta 0.0019 0.002 0.0009
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0627
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0366 0.4396 0.8451
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0569 0.6949 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0498 0.0953
Schistosoma mansoni inositol monophosphatase 0.0036 0.0238 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0343 0.034
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0052 0.0435 0.0432
Schistosoma mansoni hypothetical protein 0.0165 0.1856 0.1847
Leishmania major C-8 sterol isomerase-like protein 0.0366 0.4396 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.1035 0.1033
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0458
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.002 0.0017
Trypanosoma cruzi monoglyceride lipase, putative 0.0217 0.252 0.5721
Plasmodium vivax PST-A protein 0.0217 0.252 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.002 0.0027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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