Detailed information for compound 1342414

Basic information

Technical information
  • TDR Targets ID: 1342414
  • Name: N-[1-[(2-methoxyphenyl)methylamino]-4-methyl- 1-oxopentan-2-yl]-4-methylcyclohexane-1-carbo xamide
  • MW: 374.517 | Formula: C22H34N2O3
  • H donors: 2 H acceptors: 2 LogP: 4.41 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)C(NC(=O)C1CCC(CC1)C)CC(C)C
  • InChi: 1S/C22H34N2O3/c1-15(2)13-19(24-21(25)17-11-9-16(3)10-12-17)22(26)23-14-18-7-5-6-8-20(18)27-4/h5-8,15-17,19H,9-14H2,1-4H3,(H,23,26)(H,24,25)
  • InChiKey: UHFMAYUAVVOXLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[(2-methoxyphenyl)methylcarbamoyl]-3-methyl-butyl]-4-methyl-cyclohexane-1-carboxamide
  • N-[1-[[(2-methoxyphenyl)methylamino]-oxomethyl]-3-methylbutyl]-4-methyl-1-cyclohexanecarboxamide
  • N-[1-[(2-methoxybenzyl)carbamoyl]-3-methyl-butyl]-4-methyl-cyclohexane-1-carboxamide
  • N-[1-[(2-methoxyphenyl)methylamino]-4-methyl-1-oxo-pentan-2-yl]-4-methyl-cyclohexane-1-carboxamide
  • MLS000519867
  • SMR000130282
  • STK248866

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Voltage-gated potassium channel subunit Kv7.2 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative Get druggable targets OG5_129255 All targets in OG5_129255
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus potassium channel KvQLT family member kqt 1 Get druggable targets OG5_129255 All targets in OG5_129255
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) voltage-gated potassium channel Get druggable targets OG5_129255 All targets in OG5_129255
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni voltage-gated potassium channel KCNQ Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog Get druggable targets OG5_129255 All targets in OG5_129255
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
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 tuberculosis Probable lipase LipD 0.0075 0.0558 0.07
Mycobacterium tuberculosis Conserved protein 0.0075 0.0558 0.07
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0213 0.016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0126 0.0073
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0576 0.0525
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0558 0.07
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0558 0.0558
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0261 0.0209
Leishmania major hypothetical protein, conserved 0.0075 0.0558 0.4024
Trypanosoma cruzi GUP1, putative 0.0075 0.0556 0.9953
Mycobacterium ulcerans lipase LipD 0.0075 0.0558 0.3565
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0126 0.0073
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0075 0.0556 0.0556
Echinococcus multilocularis geminin 0.0368 0.4557 0.4528
Brugia malayi Matrixin family protein 0.0037 0.0034 0.0103
Onchocerca volvulus Huntingtin homolog 0.0129 0.1294 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0599 0.0599
Brugia malayi MBOAT family protein 0.0075 0.0556 0.1697
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0558 0.3475
Schistosoma mansoni cathepsin D (A01 family) 0.0426 0.535 0.535
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0123 0.1216 0.1169
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0556 0.3459
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0261 0.0209
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.041 0.041
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.2053 0.201
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1854 0.1811
Loa Loa (eye worm) hypothetical protein 0.0078 0.0599 0.0599
Plasmodium falciparum plasmepsin VI 0.0145 0.1506 1
Entamoeba histolytica hypothetical protein 0.0043 0.0126 0.1454
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0252 0.297 0.297
Brugia malayi Matrixin family protein 0.0037 0.0034 0.0103
Onchocerca volvulus 0.0047 0.0173 0.1336
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.0275 0.1525
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0075 0.0556 0.0505
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0075 0.0556 0.0556
Trypanosoma brucei glycerol uptake protein, putative 0.0075 0.0556 0.9953
Onchocerca volvulus 0.0075 0.0558 0.4313
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0123 0.1216 0.1169
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0053 0.0066
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0558 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0133 0.1352 0.1306
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0126 0.0073
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0379 0.0327
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0174 0.1903 0.1859
Loa Loa (eye worm) hypothetical protein 0.0692 0.8978 0.8978
Onchocerca volvulus 0.0037 0.0034 0.0261
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0039 0.0065 0.0065
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0075 0.0556 0.0505
Onchocerca volvulus 0.0039 0.0065 0.05
Onchocerca volvulus Matrilysin homolog 0.0037 0.0034 0.0261
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0835 0.0786
Echinococcus granulosus o acyltransferase membrane bound domain 0.0075 0.0556 0.0505
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0.1308 0.1262
Onchocerca volvulus Matrilysin homolog 0.0081 0.0643 0.4967
Loa Loa (eye worm) hypothetical protein 0.0085 0.0699 0.0699
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0173 0.012
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0039 0.0065 0.0198
Loa Loa (eye worm) hhat protein 0.0075 0.0556 0.0556
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.168 0.5128
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0379 0.0327
Loa Loa (eye worm) hypothetical protein 0.0047 0.0173 0.0173
Echinococcus multilocularis adam 17 protease 0.0155 0.1652 0.1607
Onchocerca volvulus 0.0052 0.0243 0.1875
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0173 0.012
Brugia malayi Bromodomain containing protein 0.0051 0.0223 0.0681
Trypanosoma cruzi glycerol uptake protein, putative 0.0075 0.0556 0.9953
Trypanosoma cruzi GUP1, putative 0.0075 0.0556 0.9953
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0275 0.034
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0261 0.0798
Loa Loa (eye worm) hypothetical protein 0.0046 0.0166 0.0166
Brugia malayi beta-lactamase family protein 0.0075 0.0558 0.1704
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0045 0.0143 0.0143
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0075 0.0556 0.0505
Loa Loa (eye worm) MBOAT family protein 0.0075 0.0556 0.0556
Brugia malayi acetyltransferase, GNAT family protein 0.0178 0.196 0.5984
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0174 0.1903 0.1903
Loa Loa (eye worm) hypothetical protein 0.0039 0.0065 0.0065
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0073 0.0534 0.0483
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0075 0.0556 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0558 0.0508
Loa Loa (eye worm) MBOAT family protein 0.0075 0.0556 0.0556
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0075 0.0556 0.0505
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0835 0.0835
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0558 0.0558
Brugia malayi beta-lactamase family protein 0.0075 0.0558 0.1704
Entamoeba histolytica hypothetical protein 0.0043 0.0126 0.1454
Plasmodium falciparum plasmepsin II 0.0145 0.1506 1
Leishmania major hypothetical protein, conserved 0.0075 0.0556 0.4005
Schistosoma mansoni hypothetical protein 0.0285 0.342 0.342
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Brugia malayi jmjC domain containing protein 0.0062 0.0379 0.1157
Trypanosoma brucei glycerol uptake protein, putative 0.0075 0.0556 0.9953
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0075 0.0556 0.0505
Leishmania major glycerol uptake protein, putative 0.0075 0.0556 0.4005
Onchocerca volvulus 0.0039 0.0065 0.05
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.0275 0.1824
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1001 0.3055
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0174 0.1903 0.1859
Toxoplasma gondii aldehyde dehydrogenase 0.013 0.1308 0.1621
Echinococcus granulosus o acyltransferase membrane bound domain 0.0075 0.0556 0.0505
Leishmania major glycerol uptake protein, putative 0.0075 0.0556 0.4005
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0173 0.0173
Plasmodium vivax plasmepsin IV, putative 0.0145 0.1506 1
Brugia malayi PHD-finger family protein 0.0034 0.0002 0.0008
Schistosoma mansoni hypothetical protein 0.0368 0.4557 0.4557
Brugia malayi MBOAT family protein 0.0075 0.0556 0.1697
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0075 0.0556 0.0556
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0075 0.0556 0.0556
Leishmania major glycerol uptake protein, putative 0.0075 0.0556 0.4005
Loa Loa (eye worm) hypothetical protein 0.0075 0.0556 0.0556
Schistosoma mansoni hypothetical protein 0.005 0.0213 0.0213
Brugia malayi follicle stimulating hormone receptor 0.0252 0.297 0.9067
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0075 0.0556 0.0505
Schistosoma mansoni survival motor neuron protein 0.0056 0.0297 0.0297
Schistosoma mansoni sterol O-acyltransferase 1 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Entamoeba histolytica hypothetical protein 0.0043 0.0126 0.1454
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0626 0.807 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0835 0.0786
Loa Loa (eye worm) hypothetical protein 0.0053 0.0261 0.0261
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.2053 0.201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.168 0.168
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1875 0.1832
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0558 1
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0078 0.0599 0.0549
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0177 0.1177
Echinococcus granulosus survival motor neuron protein 1 0.0274 0.3276 0.324
Brugia malayi Matrixin family protein 0.0089 0.0743 0.2268
Entamoeba histolytica hypothetical protein 0.0043 0.0126 0.1454
Onchocerca volvulus 0.0039 0.0065 0.05
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.0263
Onchocerca volvulus 0.0099 0.0888 0.686
Loa Loa (eye worm) hypothetical protein 0.0157 0.168 0.168
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0558 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0145 0.1506 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0075 0.0556 0.9953
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0123 0.1216 0.3713
Mycobacterium tuberculosis Conserved protein 0.0075 0.0558 0.07
Brugia malayi hypothetical protein 0.0043 0.0126 0.0385
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0558 0.3475
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0126 0.0073
Onchocerca volvulus Matrix metalloproteinase homolog 0.0081 0.0643 0.4967
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0173 0.012
Onchocerca volvulus 0.0056 0.0297 0.2294
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0123 0.1216 0.1216
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0075 0.0556 0.0505
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0558 0.07
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.1875 0.1875
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0261 0.0209
Onchocerca volvulus 0.0075 0.0558 0.4313
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0045 0.0143 0.0436
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0558 0.3565
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0297 0.0906
Schistosoma mansoni alpha-glucosidase 0.0148 0.1549 0.1549
Onchocerca volvulus 0.0075 0.0556 0.4294
Schistosoma mansoni cathepsin D (A01 family) 0.0426 0.535 0.535
Schistosoma mansoni hypothetical protein 0.0108 0.1001 0.1001
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0123 0.1216 0.1216
Brugia malayi Hhat protein 0.0075 0.0556 0.1697
Loa Loa (eye worm) hypothetical protein 0.0274 0.3276 0.3276
Brugia malayi Latrophilin receptor protein 2 0.005 0.0213 0.0649
Entamoeba histolytica hypothetical protein 0.0075 0.0556 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.013 0.1308 0.1262
Brugia malayi MBOAT family protein 0.0075 0.0556 0.1697
Schistosoma mansoni bromodomain containing protein 0.0081 0.0635 0.0635
Onchocerca volvulus 0.0039 0.0065 0.05
Mycobacterium ulcerans beta-lactamase 0.0075 0.0558 0.3565
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0177 0.2468
Entamoeba histolytica vacuolar protein sorting 26 0.0075 0.0556 1
Loa Loa (eye worm) matrixin family protein 0.0081 0.0643 0.0643
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0213 0.0649
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0177 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0075 0.0556 0.0556
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.1308 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0078 0.0599 0.0549
Loa Loa (eye worm) hypothetical protein 0.005 0.0213 0.0213
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0558 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0379 0.0327
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0558 0.07
Echinococcus granulosus geminin 0.0368 0.4557 0.4528
Loa Loa (eye worm) hypothetical protein 0.0145 0.1506 0.1506
Trichomonas vaginalis transmembrane protein nessy, putative 0.0075 0.0556 0.3459
Brugia malayi diacylglycerol acyltransferase 0.0075 0.0556 0.1697
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1875 0.1832
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.1875 0.1832
Echinococcus granulosus GPCR family 2 0.005 0.0213 0.016
Echinococcus multilocularis neuropeptide receptor A26 0.0499 0.6342 0.6323
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0261 0.0209
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0123 0.1216 0.1169
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0155 0.1652 0.1652
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0558 0.07
Toxoplasma gondii ABC1 family protein 0.0075 0.0558 0.0692
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.0275 0.1525
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0037 0.0034 0.0034
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0097 0.0863 0.0814
Toxoplasma gondii aspartyl protease ASP1 0.0145 0.1506 0.1867
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0075 0.0556 0.0505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0835 0.0786
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0075 0.0556 0.0556
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0039 0.0065 0.0198
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0576 0.0525
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0173 0.1336
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0145 0.1506 0.1461
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.041 0.041
Loa Loa (eye worm) hhat protein 0.0075 0.0556 0.0556
Echinococcus multilocularis survival motor neuron protein 1 0.0274 0.3276 0.324
Echinococcus granulosus o acyltransferase membrane bound domain 0.0075 0.0556 0.0505
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0145 0.1506 0.1867
Loa Loa (eye worm) beta-lactamase 0.0075 0.0558 0.0558
Echinococcus multilocularis neuropeptide s receptor 0.0499 0.6342 0.6323
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0558 0.0558
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0075 0.0556 0.0505
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0173 0.0173
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0835 0.0835
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Echinococcus granulosus neuropeptide s receptor 0.0499 0.6342 0.6323
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0075 0.0556 0.0505
Schistosoma mansoni hypothetical protein 0.005 0.0213 0.0213
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0173 0.0173
Onchocerca volvulus 0.0039 0.0065 0.05
Brugia malayi Matrixin family protein 0.0037 0.0034 0.0103
Plasmodium vivax aspartyl proteinase, putative 0.0145 0.1506 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0075 0.0556 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0075 0.0556 1
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0558 0.3565
Mycobacterium tuberculosis Possible penicillin-binding protein 0.048 0.608 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0073 0.0534 0.163
Onchocerca volvulus 0.0039 0.0065 0.05
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0558 0.07
Leishmania major glycerol uptake protein, putative 0.0075 0.0556 0.4005
Schistosoma mansoni hypothetical protein 0.0056 0.0297 0.0297
Trichomonas vaginalis esterase, putative 0.0075 0.0558 0.3475
Schistosoma mansoni hypothetical protein 0.0075 0.0556 0.0556
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0133 0.1352 0.1306
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0173 0.012
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0075 0.0556 0.369
Loa Loa (eye worm) hypothetical protein 0.0326 0.3985 0.3985
Mycobacterium ulcerans hypothetical protein 0.0075 0.0558 0.3565
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0075 0.0556 0.0556
Onchocerca volvulus Huntingtin homolog 0.0129 0.1294 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.1308 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.041 0.041
Schistosoma mansoni alpha-glucosidase 0.0148 0.1549 0.1549
Onchocerca volvulus 0.0075 0.0558 0.4313
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0178 0.196 0.1917
Brugia malayi MBOAT family protein 0.0075 0.0556 0.1697
Brugia malayi MBOAT family protein 0.0075 0.0556 0.1697
Loa Loa (eye worm) matrix metalloproteinase 0.0037 0.0034 0.0034
Brugia malayi Bromodomain containing protein 0.0095 0.0828 0.2526
Onchocerca volvulus 0.0039 0.0065 0.05
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0145 0.1506 0.1506
Onchocerca volvulus 0.0039 0.0065 0.05
Echinococcus multilocularis GPCR, family 2 0.005 0.0213 0.016
Echinococcus granulosus neuropeptide receptor A26 0.0499 0.6342 0.6323
Schistosoma mansoni hypothetical protein 0.0043 0.0126 0.0126
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0835 0.255
Loa Loa (eye worm) hypothetical protein 0.0129 0.1294 0.1294
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0075 0.0556 0.0505
Loa Loa (eye worm) MBCTL1 0.0053 0.0261 0.0261
Brugia malayi Hemopexin family protein 0.0052 0.0243 0.0741
Brugia malayi mbt repeat family protein 0.0047 0.0173 0.0528
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0178 0.196 0.196
Loa Loa (eye worm) hypothetical protein 0.0075 0.0556 0.0556
Brugia malayi Matrixin family protein 0.0037 0.0034 0.0103
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.041 0.0359
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.1308 0.1308
Brugia malayi mbt repeat family protein 0.0047 0.0173 0.0528
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0073 0.0534 0.0483
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0835 0.0786
Loa Loa (eye worm) hypothetical protein 0.0129 0.1294 0.1294
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0075 0.0556 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0556 0.3459
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0213 0.016
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Toxoplasma gondii hypothetical protein 0.0075 0.0556 0.0689
Schistosoma mansoni hypothetical protein 0.0052 0.0243 0.0243
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0145 0.1506 0.1461
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0558 0.1704
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0835 0.0835
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.1308 1
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.1308 0.1308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0835 0.0835
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.168 0.5128
Echinococcus granulosus adam 17 protease 0.0171 0.1863 0.182
Plasmodium falciparum plasmepsin I 0.0145 0.1506 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0275 0.0223
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.1875 0.5724
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0075 0.0556 0.0505
Loa Loa (eye worm) hypothetical protein 0.0108 0.1001 0.1001
Schistosoma mansoni zinc finger protein 0.0075 0.0556 0.0556
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0075 0.0556 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0075 0.0556 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0261 0.0261
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0097 0.0863 0.0814
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0053 0.0053
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0558 0.07
Mycobacterium tuberculosis Conserved protein 0.0075 0.0558 0.07
Plasmodium falciparum plasmepsin IV 0.0145 0.1506 1
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0174 0.1903 0.5808
Schistosoma mansoni hypothetical protein 0.0368 0.4557 0.4557
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0.1308 0.1963
Loa Loa (eye worm) matrixin family protein 0.0089 0.0743 0.0743
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0275 0.034
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0558 0.3706
Loa Loa (eye worm) voltage-gated potassium channel 0.0171 0.1863 0.1863
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0078 0.0599 0.0599
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0075 0.0556 0.0689
Trypanosoma cruzi glycerol uptake protein, putative 0.0075 0.0556 0.9953
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0213 0.016
Loa Loa (eye worm) MBOAT family protein 0.0075 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0073 0.0534 0.0534
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0558 0.0508
Loa Loa (eye worm) hypothetical protein 0.0075 0.0556 0.0556
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0075 0.0556 0.0689
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.013 0.1308 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0123 0.1216 0.1169
Echinococcus multilocularis sterol O acyltransferase 1 0.0767 1 1
Schistosoma mansoni hypothetical protein 0.005 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0767 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0039 0.0065 0.0198
Schistosoma mansoni alpha glucosidase 0.0038 0.0053 0.0053
Brugia malayi beta-lactamase 0.0075 0.0558 0.1704
Loa Loa (eye worm) hypothetical protein 0.0056 0.0295 0.0295
Trichomonas vaginalis porcupine, putative 0.0075 0.0556 0.3459
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0558 0.3475
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0213 0.016
Brugia malayi jmjC domain containing protein 0.0064 0.041 0.1253
Schistosoma mansoni hypothetical protein 0.005 0.0213 0.0213
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0558 0.3475
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0075 0.0556 0.369
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0558 0.3475
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0556 0.3459
Loa Loa (eye worm) hypothetical protein 0.0075 0.0558 0.0558
Leishmania major glycerol uptake protein, putative 0.0075 0.0556 0.4005
Brugia malayi hypothetical protein 0.0274 0.3276 1
Brugia malayi hypothetical protein 0.0129 0.1294 0.3951
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0145 0.1506 0.1506
Mycobacterium leprae Probable lipase LipE 0.0075 0.0558 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0126 0.0126
Loa Loa (eye worm) acetyltransferase 0.0178 0.196 0.196
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0075 0.0556 0.0505
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0053 0.0162

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0.21048 uM PUBCHEM_BIOASSAY: Dose response assay for compounds that inhibit KCNQ2 potassium channels on automated electrophysiological assay II. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 13.1154 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) 14.581 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) 23.1093 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) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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