Detailed information for compound 1293794

Basic information

Technical information
  • TDR Targets ID: 1293794
  • Name: N-cyclobutyl-1-[(3-methoxyphenyl)methyl]-6-ox opiperidine-3-carboxamide
  • MW: 316.395 | Formula: C18H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CN1CC(CCC1=O)C(=O)NC1CCC1
  • InChi: 1S/C18H24N2O3/c1-23-16-7-2-4-13(10-16)11-20-12-14(8-9-17(20)21)18(22)19-15-5-3-6-15/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,22)
  • InChiKey: IIUORDCEHVPLTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclobutyl-1-[(3-methoxyphenyl)methyl]-6-oxo-piperidine-3-carboxamide
  • N-cyclobutyl-1-[(3-methoxyphenyl)methyl]-6-oxo-3-piperidinecarboxamide
  • N-cyclobutyl-6-keto-1-(3-methoxybenzyl)nipecotamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Diacylglycerol kinase theta 0.0012 0.0094 0.0106
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0007 0.0039 0.0103
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0012 0.0094 0.009
Schistosoma mansoni carbon catabolite repressor protein 0.0007 0.0039 0.0042
Loa Loa (eye worm) hypothetical protein 0.0007 0.0039 0.0103
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0496 1
Brugia malayi AKH receptor 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0496 0.1219
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0496 1
Schistosoma mansoni synaptojanin 0.0007 0.0039 0.0042
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0437 1
Schistosoma mansoni nocturnin 0.0007 0.0039 0.0042
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0482 0.9686
Echinococcus multilocularis sphingosine kinase 1 0.0303 0.3787 0.3785
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0415 0.8217
Schistosoma mansoni diacylglycerol kinase theta 0.0012 0.0094 0.0106
Mycobacterium tuberculosis Conserved protein 0.0043 0.0496 0.1219
Brugia malayi neuropeptide F receptor 0.0005 0.0004 0.0021
Onchocerca volvulus Ceramide kinase 1 homolog 0.0012 0.0094 0.1831
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0415 0.8217
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0012 0.0094 0.1198
Brugia malayi Dopamine receptor protein 1 0.0005 0.0004 0.0021
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0045 0.0049
Schistosoma mansoni synaptojanin 0.0007 0.0039 0.0042
Entamoeba histolytica diacylglycerol kinase, putative 0.0012 0.0094 0.0146
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Brugia malayi hypothetical protein 0.0035 0.039 0.2203
Schistosoma mansoni hypothetical protein 0.0035 0.039 0.0455
Brugia malayi beta-lactamase family protein 0.0043 0.0496 0.2799
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0415 0.234
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0496 0.1089
Schistosoma mansoni smad1 5 8 and 0.0008 0.0045 0.0049
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Loa Loa (eye worm) G-protein coupled receptor 0.0005 0.0004 0.001
Echinococcus multilocularis geminin 0.0168 0.2081 0.2078
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0007 0.0039 0.0103
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0496 0.1089
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0012 0.0094 0.0106
Trichomonas vaginalis sphingosine kinase, putative 0.0012 0.0094 0.1198
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0415 0.8217
Leishmania major hypothetical protein, conserved 0.0012 0.0094 0.1198
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0007 0.0039 0.0042
Toxoplasma gondii ABC1 family protein 0.0043 0.0496 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0045 0.0041
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0415 0.1095
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0099 0.0262
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0496 0.131
Toxoplasma gondii exonuclease III APE 0.0037 0.0415 0.8217
Entamoeba histolytica hypothetical protein 0.0035 0.039 0.0937
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0496 0.1219
Loa Loa (eye worm) diacylglycerol kinase 2 0.0012 0.0094 0.0248
Entamoeba histolytica hypothetical protein, conserved 0.0303 0.3787 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0099 0.0262
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0007 0.0039 0.0103
Loa Loa (eye worm) hypothetical protein 0.0009 0.0055 0.0144
Loa Loa (eye worm) ceramide kinase 0.0012 0.0094 0.0248
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) acetyltransferase 0.0144 0.1772 0.4679
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0012 0.0094 0.1198
Toxoplasma gondii diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0099 0.1317
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0482 0.9686
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Mycobacterium tuberculosis Conserved protein 0.0043 0.0496 0.1219
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0415 0.8217
Onchocerca volvulus 0.0043 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Leishmania major hypothetical protein, conserved 0.0012 0.0094 0.1198
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.1721 0.2021
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0415 0.8217
Echinococcus granulosus Smad4 0.0008 0.0045 0.0049
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0005 0.0004 0.001
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0496 0.1219
Mycobacterium tuberculosis Conserved protein 0.0043 0.0496 0.1219
Brugia malayi sulfakinin receptor protein 0.0005 0.0004 0.0021
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0007 0.0039 0.0103
Brugia malayi G-protein coupled receptor 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0415 0.9438
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0496 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.039 0.0387
Echinococcus granulosus ceramide kinase 0.0012 0.0094 0.0106
Brugia malayi Smad1 0.0008 0.0045 0.0254
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0482 0.9686
Trichomonas vaginalis diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trichomonas vaginalis esterase, putative 0.0043 0.0496 1
Brugia malayi hypothetical protein 0.0012 0.0094 0.053
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0496 1
Trichomonas vaginalis bmru protein, putative 0.0012 0.0094 0.1198
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0094 0.1198
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0099 0.1317
Brugia malayi putative neuropeptide receptor 0.0005 0.0004 0.0021
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.8502 0.8501
Brugia malayi RE15519p 0.0005 0.0004 0.0021
Brugia malayi Serotonin receptor 0.0005 0.0004 0.0021
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0415 0.8217
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0099 0.0262
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0496 1
Brugia malayi follicle stimulating hormone receptor 0.0005 0.0004 0.0021
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0007 0.0039 0.0042
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.347 0.9154
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) G-protein coupled receptor 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Schistosoma mansoni hypothetical protein 0.0007 0.0039 0.0042
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0005 0.0004 0.0021
Brugia malayi MH2 domain containing protein 0.0008 0.0045 0.0254
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0007 0.0039 0.0035
Entamoeba histolytica hypothetical protein 0.0035 0.039 0.0937
Loa Loa (eye worm) hypothetical protein 0.0007 0.0039 0.0103
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0012 0.0094 0.1198
Brugia malayi G-protein coupled receptor 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0007 0.0039 0.0103
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Schistosoma mansoni diacylglycerol kinase theta 0.0012 0.0094 0.0106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0496 0.0579
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi MH2 domain containing protein 0.0008 0.0045 0.0254
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0437 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0045 0.0041
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Brugia malayi Ceramide kinase 0.0012 0.0094 0.053
Mycobacterium ulcerans hypothetical protein 0.0303 0.3787 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0415 0.1002
Brugia malayi ORL1-like opioid receptor 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0007 0.0039 0.0103
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Echinococcus granulosus sphingosine kinase 1 0.0303 0.3787 0.4452
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi diacylglycerol kinase 0.0012 0.0094 0.053
Leishmania major sphingosine kinase A, B, putative 0.0012 0.0094 0.1198
Trypanosoma cruzi diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0005 0.0004 0.001
Brugia malayi larval opioid receptor 0.0005 0.0004 0.0021
Schistosoma mansoni hypothetical protein 0.0168 0.2081 0.2445
Mycobacterium ulcerans beta-lactamase 0.0043 0.0496 0.1089
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0045 0.0049
Brugia malayi MH1 domain containing protein 0.0008 0.0045 0.0254
Onchocerca volvulus Putative neutral sphingomyelinase 0.0007 0.0039 0.072
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1772 0.1769
Brugia malayi G protein-coupled receptor 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) neuropeptide F receptor 0.0005 0.0004 0.001
Schistosoma mansoni ap endonuclease 0.0037 0.0415 0.0484
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0496 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0496 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0415 1
Trypanosoma brucei Sphingosine kinase 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0248
Schistosoma mansoni hypothetical protein 0.0168 0.2081 0.2445
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0415 0.0484
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0248
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0482 0.9686
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0007 0.0039 0.0042
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0007 0.0039 0.0103
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1772 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.0039 0.0042
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.8502 1
Schistosoma mansoni smad 0.0008 0.0045 0.0049
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Mycobacterium leprae Probable lipase LipE 0.0043 0.0496 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0496 0.1219
Echinococcus multilocularis deoxyribonuclease 1 2 0.0007 0.0039 0.0035
Echinococcus granulosus geminin 0.0168 0.2081 0.2445
Plasmodium falciparum diacylglycerol kinase, putative 0.0012 0.0094 0.1376
Entamoeba histolytica diacylglycerol kinase, putative 0.0012 0.0094 0.0146
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0012 0.0094 0.0106
Onchocerca volvulus 0.0043 0.0496 1
Leishmania major hypothetical protein, conserved 0.0043 0.0496 1
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Leishmania major cytochrome p450-like protein 0.0012 0.0099 0.1317
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0012 0.0094 0.1198
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0496 0.1219
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0005 0.0004 0.0021
Schistosoma mansoni hypothetical protein 0.0012 0.0094 0.0106
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0415 0.0411
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1425 0.3762
Trypanosoma cruzi Sphingosine kinase 0.0012 0.0094 0.1198
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0415 0.8217
Schistosoma mansoni smad1 5 8 and 0.0008 0.0045 0.0049
Brugia malayi GnHR receptor homolog 0.0005 0.0004 0.0021
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0007 0.0039 0.0035
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0012 0.0094 0.0248
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.0094 0.1198
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.0039 0.0035
Loa Loa (eye worm) Smad1 0.0008 0.0045 0.0119
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi Dopamine receptor 0.0005 0.0004 0.0021
Leishmania major diacylglycerol kinase-like protein 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1772 0.2081
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1425 0.3762
Entamoeba histolytica diacylglycerol kinase, putative 0.0012 0.0094 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Trypanosoma cruzi Sphingosine kinase 0.0012 0.0094 0.1198
Brugia malayi CCR4 0.0007 0.0039 0.0221
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0099 0.0015
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0482 0.9686
Brugia malayi Cytochrome P450 family protein 0.0012 0.0099 0.0561
Trypanosoma brucei diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Brugia malayi Eye-specific diacylglycerol kinase 0.0012 0.0094 0.053
Entamoeba histolytica diacylglycerol kinase, putative 0.0012 0.0094 0.0146
Mycobacterium tuberculosis Conserved protein 0.0303 0.3787 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0437 0.1061
Brugia malayi Dopamine receptor protein 2 0.0005 0.0004 0.0021
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0045 0.0119
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Trichomonas vaginalis diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Mycobacterium ulcerans lipase LipD 0.0043 0.0496 0.1089
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0045 0.0049
Trichomonas vaginalis bmru protein, putative 0.0012 0.0094 0.1198
Echinococcus granulosus traf and tnf receptor associated protein 0.0007 0.0039 0.0042
Loa Loa (eye worm) hypothetical protein 0.0007 0.0039 0.0103
Plasmodium falciparum diacylglycerol kinase, putative 0.0012 0.0094 0.1376
Brugia malayi Diacylglycerol kinase protein 2 0.0012 0.0094 0.053
Brugia malayi beta-lactamase family protein 0.0043 0.0496 0.2799
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi hypothetical protein 0.0005 0.0004 0.0021
Loa Loa (eye worm) beta-lactamase 0.0043 0.0496 0.131
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0099 0.1317
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0496 0.1219
Schistosoma mansoni sphingosine kinase A B 0.0303 0.3787 0.4452
Brugia malayi neuropeptide F receptor 0.0005 0.0004 0.0021
Brugia malayi Tachykinin-like peptides receptor 99D 0.0005 0.0004 0.0021
Echinococcus granulosus microtubule associated protein 2 0.0674 0.8502 1
Echinococcus granulosus Diacylglycerol kinase zeta 0.0012 0.0094 0.0106
Echinococcus granulosus neutral sphingomyelinase 0.0007 0.0039 0.0042
Brugia malayi Serotonin receptor 0.0005 0.0004 0.0021
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0496 1
Schistosoma mansoni ap endonuclease 0.0037 0.0415 0.0484
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0005 0.0004 0.001
Brugia malayi diacylglycerol kinase 0.0012 0.0094 0.053
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Plasmodium vivax diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0005 0.0004 0.0021
Echinococcus multilocularis synaptojanin 1 0.0007 0.0039 0.0035
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0482 0.0563
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0012 0.0094 0.0106
Echinococcus granulosus synaptojanin 1 0.0007 0.0039 0.0042
Leishmania major diacylglycerol kinase, putative 0.0012 0.0094 0.1198
Onchocerca volvulus 0.0007 0.0039 0.072
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0415 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0496 0.1089
Mycobacterium tuberculosis Diacylglycerol kinase 0.0012 0.0094 0.0146
Loa Loa (eye worm) TYRA-2 protein 0.0005 0.0004 0.001
Entamoeba histolytica hypothetical protein 0.0035 0.039 0.0937
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0415 0.0868
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0496 0.0579
Loa Loa (eye worm) melatonin receptor type 1A 0.0005 0.0004 0.001
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0012 0.0094 0.009
Echinococcus multilocularis neutral sphingomyelinase 0.0007 0.0039 0.0035
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0496 0.2799
Trichomonas vaginalis sphingosine kinase, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0005 0.0004 0.001
Brugia malayi MH2 domain containing protein 0.0117 0.1425 0.8039
Echinococcus multilocularis Diacylglycerol kinase theta 0.0012 0.0094 0.009
Echinococcus multilocularis smad 0.0008 0.0045 0.0041
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0415 0.1002
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0496 0.0579
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0005 0.0004 0.0021
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0012 0.0094 0.1198
Entamoeba histolytica hypothetical protein 0.0035 0.039 0.0937
Echinococcus multilocularis ceramide kinase 0.0012 0.0094 0.009
Onchocerca volvulus 0.0007 0.0039 0.072
Loa Loa (eye worm) neuropeptide F receptor 0.0005 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0303 0.3787 1
Echinococcus multilocularis Smad4 0.0008 0.0045 0.0041
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0415 0.9438
Echinococcus multilocularis traf and tnf receptor associated protein 0.0007 0.0039 0.0035
Onchocerca volvulus 0.0043 0.0496 1
Echinococcus granulosus smad 0.0008 0.0045 0.0049
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0496 0.0493
Brugia malayi Melatonin receptor type 1A 0.0005 0.0004 0.0021
Schistosoma mansoni smad1 5 8 and 0.0008 0.0045 0.0049
Brugia malayi beta-lactamase 0.0043 0.0496 0.2799
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0496 0.1219
Brugia malayi Cytochrome P450 family protein 0.0012 0.0099 0.0561
Onchocerca volvulus 0.0012 0.0094 0.1831
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0012 0.0094 0.1198
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0045 0.0119
Brugia malayi G protein-coupled receptor F59B2.13 0.0005 0.0004 0.0021
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0248
Schistosoma mansoni cript-related 0.0007 0.0039 0.0042
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.001
Brugia malayi MH1 domain containing protein 0.0008 0.0045 0.0254
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.039 0.0455
Brugia malayi putative neuropeptide receptor NPR1 0.0005 0.0004 0.0021
Schistosoma mansoni Smad4 0.0008 0.0045 0.0049
Schistosoma mansoni neutral sphingomyelinase 0.0007 0.0039 0.0042
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.039 0.0455
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0007 0.0039 0.0221
Loa Loa (eye worm) hypothetical protein 0.0043 0.0496 0.131
Schistosoma mansoni sphingoid long chain base kinase 0.0303 0.3787 0.4452

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.