Detailed information for compound 1857306

Basic information

Technical information
  • TDR Targets ID: 1857306
  • Name: N-(2,6-dimethylpiperidin-1-yl)-1-(2-fluorophe nyl)methanimine
  • MW: 234.312 | Formula: C14H19FN2
  • H donors: 0 H acceptors: 0 LogP: 3.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCC(N1/N=C/c1ccccc1F)C
  • InChi: 1S/C14H19FN2/c1-11-6-5-7-12(2)17(11)16-10-13-8-3-4-9-14(13)15/h3-4,8-12H,5-7H2,1-2H3/b16-10+
  • InChiKey: SCHYLABKZRPYEQ-MHWRWJLKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,6-dimethyl-1-piperidyl)-1-(2-fluorophenyl)methanimine
  • N-(2,6-dimethyl-1-piperidinyl)-1-(2-fluorophenyl)methanimine
  • (E)-(2,6-dimethyl-1-piperidyl)-(2-fluorobenzylidene)amine
  • (2,6-dimethyl-1-piperidyl)-(2-fluorobenzylidene)amine
  • T0520-4876

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1539 0.2108
Echinococcus multilocularis mitogen activated protein kinase 0.0046 0.0507 0.0673
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0437 0.063
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Brugia malayi Muscleblind-like protein 0.0156 0.3058 0.3005
Brugia malayi PHD-finger family protein 0.0035 0.0243 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0437 0.7949
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0076 0.0076
Echinococcus granulosus sodium:glucose cotransporter 2 0.0037 0.028 0.0357
Echinococcus granulosus tar DNA binding protein 0.0244 0.5125 0.7096
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0067 0.0994 0.135
Echinococcus multilocularis tar DNA binding protein 0.0244 0.5125 0.7096
Trichomonas vaginalis CMGC family protein kinase 0.0046 0.0507 0.0454
Schistosoma mansoni aldehyde dehydrogenase 0.0035 0.0234 0.0198
Brugia malayi Bromodomain containing protein 0.0035 0.0243 0.0169
Leishmania major hypothetical protein, conserved 0.0043 0.0437 0.7949
Brugia malayi latrophilin 2 splice variant baaae 0.0062 0.0873 0.0804
Loa Loa (eye worm) hypothetical protein 0.0089 0.149 0.149
Loa Loa (eye worm) hypothetical protein 0.0045 0.0475 0.0475
Brugia malayi MH2 domain containing protein 0.0144 0.2791 0.2736
Loa Loa (eye worm) hypothetical protein 0.0231 0.4816 0.4816
Echinococcus granulosus TRP transient receptor potential channel 0.0033 0.019 0.0232
Entamoeba histolytica hypothetical protein 0.0067 0.0994 0.1103
Schistosoma mansoni transient receptor potential channel 0.0089 0.149 0.1962
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0035 0.0234 0.0294
Echinococcus multilocularis transient receptor potential ion channel A 0.0086 0.1421 0.1944
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0263 0.0239
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7673 1
Echinococcus multilocularis solute carrier family 5 0.0037 0.028 0.0357
Echinococcus granulosus survival motor neuron protein 1 0.0216 0.4462 0.6174
Brugia malayi TAR-binding protein 0.0244 0.5125 0.5088
Schistosoma mansoni lamin 0.0053 0.0669 0.081
Toxoplasma gondii aldehyde dehydrogenase 0.0035 0.0234 0.2006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0029 0.0093 0.0097
Onchocerca volvulus 0.0286 0.6108 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0437 0.7949
Toxoplasma gondii ABC1 family protein 0.0043 0.0437 0.7949
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0669 0.0598
Loa Loa (eye worm) hypothetical protein 0.0223 0.4645 0.4645
Loa Loa (eye worm) hypothetical protein 0.0033 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0216 0.4462 0.4462
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.028 0.3345
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0044 0.0449 0.0376
Schistosoma mansoni hypothetical protein 0.0035 0.0243 0.0211
Schistosoma mansoni transient receptor potential channel 4 0.0089 0.149 0.1962
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0091 0.1546 0.1546
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0437 0.0357
Onchocerca volvulus 0.0037 0.028 0.0062
Echinococcus multilocularis muscleblind protein 0.0156 0.3058 0.4221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Echinococcus multilocularis geminin 0.0309 0.6647 0.9211
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3451 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0121 0.0121
Mycobacterium ulcerans hypothetical protein 0.0043 0.0437 0.063
Echinococcus multilocularis mitogen activated protein kinase 3 0.0046 0.0507 0.0673
Loa Loa (eye worm) hypothetical protein 0.0223 0.4645 0.4645
Brugia malayi beta-lactamase family protein 0.0043 0.0437 0.0364
Trichomonas vaginalis CMGC family protein kinase 0.0046 0.0507 0.0454
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0437 1
Schistosoma mansoni high-affinity choline transporter 0.0333 0.7214 1
Schistosoma mansoni hypothetical protein 0.0067 0.0994 0.1265
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0243 0.2277
Echinococcus granulosus mitogen activated protein kinase 3 0.0046 0.0507 0.0673
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0089 0.0014
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0067 0.0994 0.135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0416 0.0455
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Schistosoma mansoni hypothetical protein 0.0309 0.6647 0.9204
Mycobacterium tuberculosis Conserved protein 0.0043 0.0437 0.0357
Loa Loa (eye worm) TAR-binding protein 0.0244 0.5125 0.5125
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0046 0.0507 1
Echinococcus granulosus short transient receptor potential channel 6 0.0059 0.0789 0.1065
Echinococcus multilocularis lamin dm0 0.0053 0.0669 0.0899
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.028 0.0357
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0243 0.2277
Plasmodium falciparum phd finger protein, putative 0.0035 0.0243 1
Trichomonas vaginalis CMGC family protein kinase 0.0046 0.0507 0.0454
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0046 0.0507 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0437 0.0357
Echinococcus granulosus short transient receptor potential channel 6 0.0059 0.0789 0.1065
Schistosoma mansoni aldehyde dehydrogenase 0.0035 0.0234 0.0198
Echinococcus granulosus geminin 0.0309 0.6647 0.9211
Echinococcus multilocularis peregrin 0.0035 0.0243 0.0306
Echinococcus multilocularis lamin 0.0053 0.0669 0.0899
Brugia malayi jmjC domain containing protein 0.0043 0.0416 0.0343
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0452 1 1
Echinococcus granulosus peregrin 0.0035 0.0243 0.0306
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0035 0.0234 0.0294
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0437 0.0357
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5915 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0437 0.0357
Schistosoma mansoni transcription factor btf3 0.0032 0.0166 0.0102
Brugia malayi Sodium:solute symporter family protein 0.0037 0.028 0.0205
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0416 0.0416
Schistosoma mansoni tar DNA-binding protein 0.0244 0.5125 0.7067
Loa Loa (eye worm) hypothetical protein 0.0053 0.0669 0.0669
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0437 0.063
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0035 0.0234 0.2006
Loa Loa (eye worm) hypothetical protein 0.0056 0.072 0.072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1539 0.2031
Loa Loa (eye worm) hypothetical protein 0.0156 0.3058 0.3058
Giardia lamblia Kinase, CMGC MAPK 0.0046 0.0507 0.0354
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0029 0.0093 0.0017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0091 0.1546 0.1482
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0263 0.0239
Echinococcus multilocularis short transient receptor potential channel 6 0.0059 0.0789 0.1065
Schistosoma mansoni inositol transporter 0.0037 0.028 0.0262
Echinococcus granulosus lamin 0.0053 0.0669 0.0899
Schistosoma mansoni tar DNA-binding protein 0.0244 0.5125 0.7067
Schistosoma mansoni tar DNA-binding protein 0.0244 0.5125 0.7067
Brugia malayi intermediate filament protein 0.0053 0.0669 0.0598
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0566 0.0755
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5297 0.5297
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1539 0.1474
Echinococcus multilocularis muscleblind protein 1 0.0156 0.3058 0.4221
Loa Loa (eye worm) hypothetical protein 0.0029 0.0093 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1539 0.2031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0029 0.0093 0.0097
Loa Loa (eye worm) hypothetical protein 0.0052 0.0646 0.0646
Mycobacterium tuberculosis Conserved protein 0.0043 0.0437 0.0357
Mycobacterium ulcerans lipase LipD 0.0043 0.0437 0.063
Onchocerca volvulus 0.0043 0.0437 0.033
Mycobacterium tuberculosis Conserved protein 0.0043 0.0437 0.0357
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7673 1
Trypanosoma brucei protein kinase, putative 0.0046 0.0507 1
Brugia malayi beta-lactamase family protein 0.0043 0.0437 0.0364
Brugia malayi beta-lactamase 0.0043 0.0437 0.0364
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2116 0.2911
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0437 0.0483
Entamoeba histolytica hypothetical protein 0.0067 0.0994 0.1103
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Brugia malayi Pre-SET motif family protein 0.0251 0.5297 0.5261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1539 0.2108
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0416 0.0547
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0437 0.0437
Loa Loa (eye worm) beta-lactamase 0.0043 0.0437 0.0437
Echinococcus multilocularis tumor protein p63 0.0308 0.6625 0.9181
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0037 0.028 0.0357
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0437 0.0361
Brugia malayi hypothetical protein 0.0216 0.4462 0.442
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0437 0.0357
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0046 0.0507 1
Schistosoma mansoni inositol transporter 0.0037 0.028 0.0262
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1539 0.2031
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0437 0.0357
Loa Loa (eye worm) hypothetical protein 0.0333 0.7214 0.7214
Echinococcus multilocularis musashi 0.0053 0.0669 0.0899
Entamoeba histolytica hypothetical protein 0.0067 0.0994 0.1103
Brugia malayi hypothetical protein 0.0067 0.0994 0.0925
Brugia malayi Transient-receptor-potential like protein 0.0033 0.019 0.0115
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0046 0.0507 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0062 0.0873 0.0873
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.028 0.0357
Trichomonas vaginalis CMGC family protein kinase 0.0046 0.0507 0.0454
Loa Loa (eye worm) hypothetical protein 0.006 0.0831 0.0831
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0037 0.028 0.0357
Schistosoma mansoni lamin 0.0053 0.0669 0.081
Echinococcus granulosus transient receptor potential gamma protein 0.0089 0.149 0.204
Brugia malayi Latrophilin receptor protein 2 0.0029 0.0093 0.0017
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0243 0.0243
Echinococcus granulosus lamin dm0 0.0053 0.0669 0.0899
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1539 0.1539
Onchocerca volvulus 0.0053 0.0669 0.0726
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0169 0.3363 0.4645
Echinococcus multilocularis survival motor neuron protein 1 0.0216 0.4462 0.6174
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0263 0.0239
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0243 0.0211
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2791 0.2791
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0231 0.4816 0.4777
Echinococcus granulosus sodium:myo inositol cotransporter 0.0037 0.028 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1539 0.2108
Schistosoma mansoni transcription factor LCR-F1 0.0067 0.0994 0.1265
Onchocerca volvulus Huntingtin homolog 0.0223 0.4645 0.7505
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Echinococcus multilocularis GPCR, family 2 0.0029 0.0093 0.0097
Brugia malayi beta-NAC-like protein 0.0032 0.0166 0.0091
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0437 0.0361
Schistosoma mansoni survival motor neuron protein 0.0044 0.0449 0.05
Schistosoma mansoni cellular tumor antigen P53 0.0045 0.0475 0.0536
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Entamoeba histolytica hypothetical protein 0.0067 0.0994 0.1103
Onchocerca volvulus 0.0043 0.0437 0.033
Loa Loa (eye worm) hypothetical protein 0.0026 0.0023 0.0023
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0046 0.0507 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0437 0.0575
Echinococcus granulosus tumor protein p63 0.0308 0.6625 0.9181
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0263 0.0239
Loa Loa (eye worm) hypothetical protein 0.0037 0.028 0.028
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0263 0.0334
Onchocerca volvulus 0.0045 0.0475 0.0395
Loa Loa (eye worm) latrophilin receptor protein 2 0.0029 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0035 0.0243 0.0243
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0046 0.0507 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0437 0.0361
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Schistosoma mansoni transient receptor potential channel 0.0059 0.0789 0.0978
Onchocerca volvulus 0.0053 0.0669 0.0726
Schistosoma mansoni hypothetical protein 0.0309 0.6647 0.9204
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2116 0.2911
Brugia malayi RNA recognition motif domain containing protein 0.0244 0.5125 0.5088
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0437 0.0364
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.112 0.112
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.7673 1
Schistosoma mansoni sodium/solute symporter 0.0037 0.028 0.0262
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0169 0.3363 0.4645
Echinococcus granulosus mitogen activated protein kinase 0.0046 0.0507 0.0673
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0437 0.0361
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0437 0.0575
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2791 0.2791
Onchocerca volvulus Huntingtin homolog 0.0223 0.4645 0.7505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1539 0.2108
Brugia malayi GH02984p 0.0333 0.7214 0.7193
Plasmodium vivax SET domain protein, putative 0.0036 0.0263 0.3591
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0416 0.0547
Loa Loa (eye worm) RNA binding protein 0.0244 0.5125 0.5125
Onchocerca volvulus 0.0044 0.0449 0.035
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0263 0.0334
Echinococcus multilocularis transcription factor btf3 0.0032 0.0166 0.0198
Echinococcus granulosus intermediate filament protein 0.0053 0.0669 0.0899
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0669 0.0669
Brugia malayi Pre-SET motif family protein 0.0036 0.0263 0.0189
Brugia malayi hypothetical protein 0.0223 0.4645 0.4604
Schistosoma mansoni tar DNA-binding protein 0.0244 0.5125 0.7067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0263
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0669 0.0669
Onchocerca volvulus 0.0036 0.0263 0.0034
Schistosoma mansoni hypothetical protein 0.0062 0.0873 0.1096
Echinococcus granulosus transient receptor potential ion channel A 0.0086 0.1421 0.1944
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1562 0.2063
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0507 0.0581
Schistosoma mansoni intermediate filament proteins 0.0053 0.0669 0.081
Trichomonas vaginalis esterase, putative 0.0043 0.0437 0.0361
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0263 0.0334
Loa Loa (eye worm) hypothetical protein 0.0156 0.3058 0.3058
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0437 0.7949
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0243 0.2864
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0046 0.0507 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0046 0.0507 0.0507
Echinococcus granulosus sodium:glucose cotransporter 0.0037 0.028 0.0357
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0437 0.0361
Onchocerca volvulus 0.0043 0.0437 0.033
Brugia malayi RNA binding protein 0.0244 0.5125 0.5088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7673 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0437 0.063
Echinococcus granulosus high affinity choline transporter 1 0.0333 0.7214 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.7673 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0566 0.0755
Brugia malayi MAP kinase sur-1 0.0046 0.0507 0.0434
Loa Loa (eye worm) ICD-1 protein 0.0032 0.0166 0.0166
Echinococcus granulosus muscleblind protein 0.0156 0.3058 0.4221
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0089 0.0089
Echinococcus multilocularis high affinity choline transporter 1 0.0333 0.7214 1
Echinococcus granulosus GPCR family 2 0.0029 0.0093 0.0097
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0244 0.5125 0.5125
Brugia malayi jmjC domain containing protein 0.0115 0.2116 0.2056
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0232 0.0291
Schistosoma mansoni hypothetical protein 0.0044 0.0449 0.05
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3451 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0059 0.0789 0.1065
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0263 0.2854
Schistosoma mansoni transient receptor potential channel 0.0059 0.0789 0.0978
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0416 0.0455
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6108 0.7916
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3451 0.5663
Echinococcus granulosus solute carrier family 5 0.0037 0.028 0.0357
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0243 0.0306
Echinococcus multilocularis transient receptor potential gamma protein 0.0089 0.149 0.204
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0046 0.0507 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0033 0.019 0.0232
Echinococcus granulosus transcription factor btf3 0.0032 0.0166 0.0198
Loa Loa (eye worm) hypothetical protein 0.0043 0.0437 0.0437
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0243 0.0306
Schistosoma mansoni tar DNA-binding protein 0.0244 0.5125 0.7067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0437 0.0483
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0437 0.0357

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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) 3.1623 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) 3.1623 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) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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) 25.929 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 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) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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