Detailed information for compound 1418983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.378 | Formula: C18H22N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCCC1)COC(=O)CN1C(=O)COc2c1cccc2
  • InChi: 1S/C18H22N2O5/c21-16(19-13-6-2-1-3-7-13)11-25-18(23)10-20-14-8-4-5-9-15(14)24-12-17(20)22/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,21)
  • InChiKey: ATQAJNOATPDMHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0182
Plasmodium vivax importin-beta 2, putative 0.0033 0.025 0.2069
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.0186 0.0137
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0082 0.0755 0.0755
Loa Loa (eye worm) hypothetical protein 0.0033 0.025 0.025
Leishmania major glycerol uptake protein, putative 0.0021 0.0122 0.0064
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0122 0.0996
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0021 0.0122 0.0285
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0182
Echinococcus multilocularis ornithine aminotransferase 0.0071 0.0641 0.0641
Onchocerca volvulus 0.0056 0.0484 0.1566
Loa Loa (eye worm) hypothetical protein 0.0052 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0036 0.0278 0.0278
Leishmania major glycerol uptake protein, putative 0.0021 0.0122 0.0064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.1415 0.1415
Schistosoma mansoni ran 0.0025 0.0159 0.0372
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0238 0.0557
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0106 0.0106
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0197 0.1236
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0106 0.0106
Echinococcus granulosus dna polymerase eta 0.0021 0.0118 0.0118
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0071 0.0641 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0342 0.2318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1415 0.3306
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0297 0.0226
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0021 0.0122 0.0122
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0071 0.0641 0.1054
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0119 0.0119
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0036 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Brugia malayi hypothetical protein 0.0275 0.2743 0.2743
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0122 0.0996
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0238 0.0238
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0118 0.0939
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0071 0.0641 0.093
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Schistosoma mansoni hypothetical protein 0.0423 0.4281 1
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0071 0.0641 0.093
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0071 0.0641 0.1004
Onchocerca volvulus 0.0097 0.0903 0.336
Echinococcus granulosus GPCR family 2 0.0017 0.0078 0.0078
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0078 0.0078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.045 0.045
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0185 0.0281
Echinococcus granulosus beta LACTamase domain containing family member 0.0082 0.0755 0.0755
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0503 0.0503
Onchocerca volvulus 0.0082 0.0755 0.2724
Mycobacterium ulcerans hypothetical protein 0.0082 0.0755 0.1283
Mycobacterium ulcerans acetylornithine aminotransferase 0.0071 0.0641 0.1054
Schistosoma mansoni hypothetical protein 0.0021 0.0122 0.0285
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0755 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0122 0.0285
Leishmania major hypothetical protein, conserved 0.0082 0.0755 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0342 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0238 0.0557
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0185 0.0281
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0159 0.1527
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1415 0.1415
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Echinococcus granulosus dnaJ subfamily B 0.0423 0.4281 0.4281
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0021 0.0122 0.0285
Brugia malayi MBOAT family protein 0.0243 0.2418 0.2418
Echinococcus multilocularis RUN 0.0021 0.0119 0.0119
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0122 0.0064
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0021 0.0122 0.0285
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0071 0.0641 0.1054
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0021 0.0122 0.0122
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0119 0.0119
Schistosoma mansoni lipoxygenase 0.0021 0.0119 0.0278
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Echinococcus multilocularis L aminoadipate semialdehyde 0.0097 0.0903 0.0903
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0021 0.0122 0.0051
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.1291 0.1291
Schistosoma mansoni zinc finger protein 0.0243 0.2418 0.5648
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0119 0.0119
Onchocerca volvulus 0.0052 0.0446 0.14
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0082 0.0755 0.1283
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0159 0.0775
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0097 0.0903 0.211
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0021 0.0122 0.0122
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0238 0.0557
Onchocerca volvulus 0.0059 0.0515 0.1699
Brugia malayi beta-lactamase 0.0082 0.0755 0.0755
Onchocerca volvulus 0.0032 0.0238 0.0512
Brugia malayi MH2 domain containing protein 0.0134 0.1291 0.1291
Mycobacterium ulcerans L-lysine aminotransferase 0.0071 0.0641 0.1054
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0122 0.0064
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0118 0.0276
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0118 0.0939
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0119 0.0119
Leishmania major GTP-binding protein, putative 0.0025 0.0159 0.0649
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0082 0.0755 0.1221
Echinococcus multilocularis cpg binding protein 0.0062 0.055 0.055
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0503 0.0503
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0297 0.0343
Entamoeba histolytica hypothetical protein 0.0027 0.0185 0.2992
Loa Loa (eye worm) hypothetical protein 0.0032 0.0238 0.0238
Trichomonas vaginalis porcupine, putative 0.0021 0.0122 0.0156
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0021 0.0122 0.0122
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0122 0.0122
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0515 0.0515
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0342 0.0593
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0118 0.0939
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1415 0.1415
Echinococcus multilocularis beta LACTamase domain containing family member 0.0082 0.0755 0.0755
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Echinococcus granulosus zinc finger protein 0.0222 0.2201 0.2201
Onchocerca volvulus 0.0021 0.0122 0.0014
Schistosoma mansoni inositol monophosphatase 0.0042 0.0342 0.08
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0118 0.0118
Brugia malayi MBOAT family protein 0.0021 0.0122 0.0122
Echinococcus multilocularis GPCR, family 2 0.0017 0.0078 0.0078
Brugia malayi Doublecortin family protein 0.0021 0.0119 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0156
Loa Loa (eye worm) hypothetical protein 0.0977 1 1
Loa Loa (eye worm) hypothetical protein 0.0977 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0078 0.0078
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0342 0.0342
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.1073 1
Leishmania major importin beta-1 subunit, putative 0.0027 0.0185 0.1055
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0755 1
Schistosoma mansoni survival motor neuron protein 0.0056 0.0484 0.1131
Mycobacterium leprae Probable lipase LipE 0.0082 0.0755 0.1162
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0186 0.1058
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0053 0.045 0.045
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0342 0.3524
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0238 0.1222
Echinococcus granulosus importin subunit beta 1 0.0033 0.025 0.025
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0078 0.0078
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0118 0.0147
Mycobacterium tuberculosis Probable lipase LipD 0.0082 0.0755 0.1221
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0036 0.0036
Mycobacterium leprae conserved hypothetical protein 0.0082 0.0755 0.1162
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0186 0.1288
Plasmodium falciparum importin beta, putative 0.0033 0.025 0.2518
Echinococcus granulosus cpg binding protein 0.0062 0.055 0.055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1415 0.1415
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2145 0.2145
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0021 0.0122 0.0122
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0069 0.0069
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0119 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1415 0.3306
Entamoeba histolytica hypothetical protein 0.0027 0.0186 0.3035
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0159 1
Onchocerca volvulus 0.0082 0.0755 0.2724
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0446 0.1041
Echinococcus granulosus RUN 0.0021 0.0119 0.0119
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0122 0.0122
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0755 0.1412
Echinococcus multilocularis muscleblind protein 1 0.0977 1 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0122 0.018
Brugia malayi beta-lactamase family protein 0.0082 0.0755 0.0755
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0021 0.0122 0.0062
Loa Loa (eye worm) MBOAT family protein 0.0243 0.2418 0.2418
Echinococcus multilocularis importin subunit beta 1 0.0033 0.025 0.025
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0119 0.0119
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0122 0.018
Entamoeba histolytica Ran family GTPase 0.0025 0.0159 0.1841
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0186 0.0674
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0342 0.3434
Schistosoma mansoni sterol O-acyltransferase 1 0.0021 0.0122 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0122 0.018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0342 0.0593
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0071 0.0641 0.093
Echinococcus multilocularis Aminotransferase class III 0.0071 0.0641 0.0641
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0071 0.0641 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.045 0.045
Brugia malayi Importin beta-1 subunit 0.0033 0.025 0.025
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0501 0.508 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0118 0.0118
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0118 0.0118
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0071 0.0641 0.1004
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0501 0.508 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0755 1
Mycobacterium tuberculosis Conserved protein 0.0082 0.0755 0.1221
Brugia malayi CXXC zinc finger family protein 0.0059 0.0515 0.0515
Trypanosoma cruzi GUP1, putative 0.0021 0.0122 0.0064
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0159 0.0637
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.0186 0.0137
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0906 0.9272 0.9272
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0182
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0122 0.0122
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0501 0.508 0.952
Loa Loa (eye worm) hypothetical protein 0.0097 0.0903 0.0903
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0071 0.0641 0.1054
Echinococcus multilocularis ornithine aminotransferase 0.0071 0.0641 0.0641
Brugia malayi hypothetical protein 0.0021 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0036 0.0278 0.0649
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0071 0.0641 0.1054
Echinococcus granulosus snurportin 1 0.0356 0.3586 0.3586
Leishmania major glycerol uptake protein, putative 0.0021 0.0122 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.1415 0.1415
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0755 0.1412
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0069 0.0069
Brugia malayi hypothetical protein 0.0028 0.0197 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0156
Schistosoma mansoni hypothetical protein 0.0356 0.3586 0.8378
Brugia malayi beta-lactamase family protein 0.0082 0.0755 0.0755
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0122 0.0122
Trypanosoma brucei unspecified product 0.0021 0.0118 0.0939
Trichomonas vaginalis ran, putative 0.0025 0.0159 0.023
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0027 0.0186 0.0131
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0122 0.0285
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0078 0.0078
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0159 0.0159
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0342 0.0593
Plasmodium vivax SET domain protein, putative 0.0032 0.0238 0.1878
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0097 0.0903 0.0903
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.025 0.135
Echinococcus multilocularis zinc finger protein 0.0222 0.2201 0.2201
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0122 0.018
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0159 0.0159
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0159 0.0392
Trichomonas vaginalis esterase, putative 0.0082 0.0755 0.1412
Brugia malayi diacylglycerol acyltransferase 0.0021 0.0122 0.0122
Schistosoma mansoni loxhd1 0.0021 0.0119 0.0278
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0186 0.1908
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0278 0.0278
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0118 0.0147
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0342 0.3524
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0021 0.0122 0.0122
Onchocerca volvulus 0.0246 0.2453 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0122 0.0122
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0118 0.0118
Echinococcus multilocularis snurportin 1 0.0356 0.3586 0.3586
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0082 0.0755 0.1221
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0082 0.0755 0.0755
Mycobacterium tuberculosis Probable esterase LipL 0.0082 0.0755 0.1221
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0197 0.1225
Echinococcus granulosus sterol O acyltransferase 1 0.0021 0.0122 0.0122
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0197 0.0786
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.4281 0.4281
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0069 0.0069
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0197 0.2059
Leishmania major glycerol uptake protein, putative 0.0021 0.0122 0.0064
Loa Loa (eye worm) hypothetical protein 0.0017 0.0078 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0755 0.1412
Schistosoma mansoni cpg binding protein 0.0059 0.0515 0.1204
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0159 0.0159
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0119 0.0119
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0186 0.0674
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0122 0.0285
Echinococcus granulosus tumor protein p63 0.0357 0.3595 0.3595
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Schistosoma mansoni cpg binding protein 0.0062 0.055 0.1285
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0013 0.0036 0.0085
Leishmania major hypothetical protein, conserved 0.0028 0.0197 0.1236
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0021 0.0122 0.0122
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.025 0.2822
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0755 0.1412
Entamoeba histolytica hypothetical protein 0.0021 0.0122 0.018
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.0186 1
Echinococcus granulosus Aminotransferase class III 0.0071 0.0641 0.0641
Echinococcus granulosus ornithine aminotransferase 0.0071 0.0641 0.0641
Schistosoma mansoni hypothetical protein 0.0056 0.0484 0.1131
Mycobacterium ulcerans lipase LipD 0.0082 0.0755 0.1283
Leishmania major hypothetical protein, conserved 0.0021 0.0122 0.0064
Onchocerca volvulus 0.0082 0.0755 0.2724
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0071 0.0641 0.5461
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0197 0.1491
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0071 0.0641 0.1004
Mycobacterium tuberculosis Probable aminotransferase 0.0501 0.508 0.952
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0182
Schistosoma mansoni importin beta-1 0.0033 0.025 0.0585
Trichomonas vaginalis transmembrane protein nessy, putative 0.0021 0.0122 0.0156
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0342 0.0342
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0185 0.1055
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0342 0.0452
Mycobacterium tuberculosis Conserved protein 0.0082 0.0755 0.1221
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0243 0.2418 0.2418
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0501 0.508 1
Schistosoma mansoni polycystin 1-related 0.0021 0.0119 0.0278
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0755 0.1763
Echinococcus granulosus L aminoadipate semialdehyde 0.0097 0.0903 0.0903
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0356 0.3586 0.3586
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0159 0.0649
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0122 0.0064
Loa Loa (eye worm) hypothetical protein 0.0021 0.0118 0.0118
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0185 0.0281
Brugia malayi hypothetical protein 0.0018 0.0094 0.0094
Echinococcus multilocularis muscleblind protein 0.0977 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0118 0.0118
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0243 0.2418 0.2418
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.045 0.045
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0197 0.1236
Echinococcus granulosus dna polymerase kappa 0.0021 0.0118 0.0118
Brugia malayi Pre-SET motif family protein 0.0217 0.2145 0.2145
Brugia malayi MBOAT family protein 0.0021 0.0122 0.0122
Schistosoma mansoni rab6-interacting 0.0021 0.0119 0.0278
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0021 0.0122 0.0122
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Schistosoma mansoni ran 0.0025 0.0159 0.0372
Schistosoma mansoni hypothetical protein 0.0021 0.0119 0.0278
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0122 0.0122
Brugia malayi follicle stimulating hormone receptor 0.0752 0.768 0.768
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0104 0.0104
Schistosoma mansoni lipoxygenase 0.0058 0.0503 0.1174
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0118 0.0276
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0082 0.0755 0.1221
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0071 0.0641 0.1004
Schistosoma mansoni rab6-interacting 0.0021 0.0119 0.0278
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0071 0.0641 0.0641
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0238 0.0557
Mycobacterium ulcerans hypothetical protein 0.0501 0.508 1
Mycobacterium ulcerans esterase/lipase LipP 0.0082 0.0755 0.1283
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0342 0.3524
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Schistosoma mansoni DNA polymerase eta 0.0021 0.0118 0.0276
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0078 0.0078
Leishmania major glycerol uptake protein, putative 0.0021 0.0122 0.0064
Plasmodium vivax ornithine aminotransferase, putative 0.0071 0.0641 0.8216
Trypanosoma cruzi GUP1, putative 0.0021 0.0122 0.0064
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0484 0.0484
Loa Loa (eye worm) inositol-1 0.0042 0.0342 0.0342
Echinococcus granulosus muscleblind protein 0.0977 1 1
Brugia malayi MBOAT family protein 0.0021 0.0122 0.0122
Mycobacterium ulcerans beta-lactamase 0.0082 0.0755 0.1283
Mycobacterium tuberculosis Conserved protein 0.0082 0.0755 0.1221
Loa Loa (eye worm) hhat protein 0.0021 0.0122 0.0122
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0005 0.0011
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0755 0.1412
Loa Loa (eye worm) beta-lactamase 0.0082 0.0755 0.0755
Loa Loa (eye worm) hhat protein 0.0021 0.0122 0.0122
Brugia malayi MBOAT family protein 0.0021 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Echinococcus multilocularis survival motor neuron protein 1 0.0275 0.2743 0.2743
Brugia malayi hypothetical protein 0.0021 0.0119 0.0119
Plasmodium falciparum ornithine aminotransferase 0.0071 0.0641 1
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2453 0.4783
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1415 0.3306
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0238 0.0238
Echinococcus multilocularis sterol O acyltransferase 1 0.0021 0.0122 0.0122
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0755 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0078 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0078 0.0078
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0021 0.0122 0.0122
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0752 0.768 0.768
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0122 0.0122
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0159 0.0649
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0213 0.0213
Schistosoma mansoni cpg binding protein 0.0062 0.055 0.1285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0238 0.0238
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.1291 0.1291
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0071 0.0641 0.1498
Brugia malayi Pre-SET motif family protein 0.0032 0.0238 0.0238
Toxoplasma gondii ABC1 family protein 0.0082 0.0755 0.6655
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0106 0.0106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0755 0.1763
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1415 0.1415
Loa Loa (eye worm) hypothetical protein 0.0028 0.0197 0.0197
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0342 0.4132
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0021 0.0122 0.0122
Echinococcus multilocularis tumor protein p63 0.0357 0.3595 0.3595
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0069 0.0161
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0197 0.1491
Mycobacterium tuberculosis Probable hydrolase 0.0082 0.0755 0.1221
Brugia malayi Inositol-1 0.0042 0.0342 0.0342
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0159 0.0159
Entamoeba histolytica vacuolar protein sorting 26 0.0021 0.0122 0.018
Echinococcus granulosus survival motor neuron protein 1 0.0275 0.2743 0.2743
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0525 0.533 1
Schistosoma mansoni inositol monophosphatase 0.0042 0.0342 0.08
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.025 0.2822
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.0186 0.107
Loa Loa (eye worm) hypothetical protein 0.0082 0.0755 0.0755
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0118 0.0939
Mycobacterium tuberculosis Probable lipase LipE 0.0082 0.0755 0.1221
Loa Loa (eye worm) hypothetical protein 0.0275 0.2743 0.2743
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0118 0.0939
Brugia malayi RNA, U transporter 1 0.0095 0.0886 0.0886
Brugia malayi Hhat protein 0.0021 0.0122 0.0122
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.1211 0.2828
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0156

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) 5.2213 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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