Detailed information for compound 1227665

Basic information

Technical information
  • TDR Targets ID: 1227665
  • Name: 1-[(4-chlorophenyl)methyl]-N-[2-(methyl-(2-ph enylethyl)amino)ethyl]-6-oxopiperidine-3-carb oxamide
  • MW: 427.967 | Formula: C24H30ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCc1ccccc1)CCNC(=O)C1CCC(=O)N(C1)Cc1ccc(cc1)Cl
  • InChi: 1S/C24H30ClN3O2/c1-27(15-13-19-5-3-2-4-6-19)16-14-26-24(30)21-9-12-23(29)28(18-21)17-20-7-10-22(25)11-8-20/h2-8,10-11,21H,9,12-18H2,1H3,(H,26,30)
  • InChiKey: CAFNIKCHZMPTLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-chlorophenyl)methyl]-N-[2-(methyl-(2-phenylethyl)amino)ethyl]-6-oxo-piperidine-3-carboxamide
  • 1-[(4-chlorophenyl)methyl]-N-[2-(methyl-(2-phenylethyl)amino)ethyl]-6-oxo-3-piperidinecarboxamide
  • 1-(4-chlorobenzyl)-6-keto-N-[2-(methyl-(2-phenylethyl)amino)ethyl]nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0038 0.0354 0.0226
Schistosoma mansoni hypothetical protein 0.0254 0.3055 0.347
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0642 0.0729
Trichomonas vaginalis importin beta-1, putative 0.0019 0.012 0.0227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0413 0.0413
Brugia malayi Inositol-1 0.0037 0.0336 0.1353
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0035 0.0317 0.0913
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0336 0.0977
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0118 0.1354 0.4431
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0038 0.0354 0.0965
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0336 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0288 0.0756
Trypanosoma brucei trypanothione reductase 0.0039 0.0367 0.1082
Echinococcus granulosus zinc finger protein 0.0021 0.0146 0.0165
Brugia malayi CXXC zinc finger family protein 0.0035 0.0312 0.1258
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.1294 0.5247
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0267 0.3223 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0048 0.0054
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0258 0.0293
Plasmodium vivax importin-beta 2, putative 0.0024 0.0176 0.4029
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0038 0.0354 0.0965
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0018 0.0098 0.0717
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2464 0.8047
Trichomonas vaginalis ran, putative 0.0018 0.0098 0.0157
Loa Loa (eye worm) hypothetical protein 0.007 0.0754 0.2402
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0317 0.0913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0413 0.0469
Echinococcus multilocularis zinc finger protein 0.0021 0.0146 0.0146
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.0992 0.2973
Echinococcus granulosus cpg binding protein 0.0039 0.0361 0.041
Toxoplasma gondii hypothetical protein 0.004 0.0381 0.4795
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.8804 0.8804
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0018 0.0098 0.0169
Brugia malayi Thioredoxin reductase 0.0039 0.0367 0.1478
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0642 0.0642
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0336 0.0381
Leishmania major GTP-binding protein, putative 0.0018 0.0098 0.0169
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0326 0.0326
Schistosoma mansoni cpg binding protein 0.0035 0.0312 0.0355
Plasmodium falciparum ornithine aminotransferase 0.0038 0.0354 0.9608
Schistosoma mansoni ran 0.0018 0.0098 0.0111
Trypanosoma cruzi ISWI complex protein 0.0015 0.0068 0.0069
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0267 0.3223 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0743 1
Plasmodium falciparum thioredoxin reductase 0.0039 0.0367 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0018 0.0098 0.0385
Leishmania major trypanothione reductase 0.0039 0.0367 0.1082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.1294 0.4185
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0812 0.0923
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0038 0.0354 0.0226
Loa Loa (eye worm) hypothetical protein 0.0113 0.1294 0.4185
Loa Loa (eye worm) hypothetical protein 0.0077 0.0846 0.2707
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.0992 0.2973
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0326 0.0991
Schistosoma mansoni zinc finger protein 0.0021 0.0146 0.0165
Schistosoma mansoni cpg binding protein 0.0039 0.0361 0.041
Plasmodium vivax glutathione reductase, putative 0.0039 0.0367 1
Echinococcus multilocularis ornithine aminotransferase 0.0038 0.0354 0.0354
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.004 0.0383 0.1177
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0048 0.0185
Echinococcus granulosus microtubule associated protein 2 0.0714 0.8804 1
Brugia malayi Bromodomain containing protein 0.0038 0.0353 0.1421
Schistosoma mansoni hypothetical protein 0.0036 0.0326 0.0371
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0176 0.0436
Schistosoma mansoni importin beta-1 0.0024 0.0176 0.02
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0038 0.0354 0.4404
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0018 0.0098 0.0098
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0312 0.0944
Brugia malayi Importin beta-1 subunit 0.0024 0.0176 0.0704
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0026 0.003
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0258 0.0293
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0038 0.0354 0.0965
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0336 0.0336
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0249 0.2995 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.012 0.0227
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0038 0.0354 0.1427
Echinococcus multilocularis cpg binding protein 0.0039 0.0361 0.0361
Schistosoma mansoni hypothetical protein 0.0036 0.0326 0.0371
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0413 0.1666
Plasmodium vivax ornithine aminotransferase, putative 0.0038 0.0354 0.9608
Loa Loa (eye worm) hypothetical protein 0.0047 0.0469 0.146
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0326 0.1315
Brugia malayi Pre-SET motif family protein 0.003 0.0258 0.1035
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.8804 1
Mycobacterium tuberculosis Probable aminotransferase 0.0267 0.3223 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0413 0.0413
Mycobacterium ulcerans hypothetical protein 0.0267 0.3223 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0234 0.0266
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.0992 0.2973
Mycobacterium tuberculosis Probable reductase 0.0089 0.0992 0.2973
Echinococcus granulosus ornithine aminotransferase 0.0038 0.0354 0.0402
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0846 0.3427
Schistosoma mansoni hypothetical protein 0.0036 0.0326 0.0371
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.009 0.0102
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.1116 0.2821
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0182 0.0207
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0267 0.3223 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0326 0.0991
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0077
Mycobacterium ulcerans hypothetical protein 0.0131 0.152 0.4638
Toxoplasma gondii thioredoxin reductase 0.0039 0.0367 0.4583
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.1116 0.3364
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0469 0.0532
Echinococcus granulosus GTP binding nuclear protein Ran 0.0018 0.0098 0.0111
Echinococcus granulosus snurportin 1 0.0254 0.3055 0.347
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0367 0.1082
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0182 0.0182
Trypanosoma cruzi ISWI complex protein 0.0015 0.0068 0.0069
Plasmodium vivax SET domain protein, putative 0.003 0.0258 0.658
Schistosoma mansoni zinc finger protein 0.0015 0.0068 0.0077
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0323 0.0367
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0182 0.0207
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.012 0.0227
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0326 0.0371
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0254 0.3055 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0038 0.0354 0.0965
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0038 0.0354 0.0402
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0018 0.0098 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0336 0.0907
Echinococcus multilocularis Aminotransferase class III 0.0038 0.0354 0.0354
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0038 0.0354 0.0965
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0326 0.0371
Mycobacterium ulcerans L-lysine aminotransferase 0.0038 0.0354 0.0965
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0038 0.0354 0.0226
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0048 0.0182
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0336 0.414
Schistosoma mansoni bromodomain containing protein 0.0065 0.0686 0.078
Trypanosoma cruzi importin beta-1 subunit, putative 0.0019 0.012 0.0245
Echinococcus granulosus GPCR family 2 0.0036 0.0326 0.0371
Echinococcus granulosus Aminotransferase class III 0.0038 0.0354 0.0402
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0098 0.0169
Echinococcus multilocularis ornithine aminotransferase 0.0038 0.0354 0.0354
Loa Loa (eye worm) hypothetical protein 0.0044 0.0431 0.1336
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0134 0.0355
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.009 0.0102
Onchocerca volvulus 0.0035 0.0312 0.0214
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0367 0.1004
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.1116 0.3364
Brugia malayi RNA, U transporter 1 0.0068 0.0725 0.2934
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0326 0.0326
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0469 0.0469
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2819 0.873
Trypanosoma brucei ISWI complex protein 0.0015 0.0068 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0323 0.0323
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0336 0.0907
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0413 0.0469
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.1116 0.3364
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0249 0.2995 1
Schistosoma mansoni hypothetical protein 0.0077 0.0846 0.0961
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0367 0.1123
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.009 0.0102
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0048 0.0048
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0098 0.0235
Leishmania major mitochondrial DNA polymerase beta 0.0249 0.2995 1
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0097 0.0234
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0176 0.0176
Schistosoma mansoni ran 0.0018 0.0098 0.0111
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0367 0.0416
Loa Loa (eye worm) hypothetical protein 0.0038 0.0353 0.108
Schistosoma mansoni cpg binding protein 0.0039 0.0361 0.041
Mycobacterium ulcerans acetylornithine aminotransferase 0.0038 0.0354 0.0965
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0038 0.0354 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0131 0.152 0.4638
Schistosoma mansoni inositol monophosphatase 0.0037 0.0336 0.0381
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0038 0.0354 0.0965
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0038 0.0354 0.0965
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.1294 0.5247
Schistosoma mansoni hypothetical protein 0.0036 0.0326 0.0371
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0048 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0413 0.0469
Brugia malayi PHD-finger family protein 0.0027 0.0212 0.0849
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0317 0.0913
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0176 0.0436
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0469 0.0532
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0038 0.0354 0.0965
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0413 0.0469
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0336 0.0977
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0413 0.1276
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0336 0.0977
Onchocerca volvulus 0.0235 0.2819 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.0992 0.2973
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0018 0.0098 0.1565
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0413 0.1238
Echinococcus granulosus importin subunit beta 1 0.0024 0.0176 0.02
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0098 0.0169
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0118 0.1354 0.4431
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0258 0.3016
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0336 0.9401
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0026 0.0026
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0176 0.1847
Brugia malayi Bromodomain containing protein 0.0076 0.0831 0.3367
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0258 0.0258
Schistosoma mansoni inositol monophosphatase 0.0037 0.0336 0.0381
Brugia malayi glutathione reductase 0.0039 0.0367 0.1478
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0118 0.1354 0.4431
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0018 0.0098 0.1565
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.009 0.009
Loa Loa (eye worm) glutathione reductase 0.0039 0.0367 0.1123
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.0992 0.2398
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0413 0.0469
Brugia malayi Pre-SET motif family protein 0.0207 0.2464 1
Leishmania major importin beta-1 subunit, putative 0.0019 0.012 0.0245
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.0992 0.2973
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0336 0.0977
Plasmodium falciparum importin beta, putative 0.0024 0.0176 0.4029
Loa Loa (eye worm) hypothetical protein 0.0024 0.0176 0.0494
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0336 0.0907
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0035 0.0317 0.0913
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0336 0.0907
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0326 0.1315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0469 0.0532
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0249 0.2995 1
Loa Loa (eye worm) inositol-1 0.0037 0.0336 0.1021
Treponema pallidum NADH oxidase 0.0014 0.0048 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0267 0.3223 1
Entamoeba histolytica hypothetical protein 0.0019 0.012 0.0936
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0038 0.0354 1
Leishmania major hypothetical protein, conserved 0.0015 0.0068 0.0069
Schistosoma mansoni hypothetical protein 0.002 0.0134 0.0152
Plasmodium falciparum glutathione reductase 0.0039 0.0367 1
Echinococcus multilocularis GPCR, family 2 0.0036 0.0326 0.0326
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0367 1
Echinococcus multilocularis snurportin 1 0.0254 0.3055 0.3055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) 11.6891 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) 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 89.1251 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

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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