Detailed information for compound 1449287

Basic information

Technical information
  • TDR Targets ID: 1449287
  • Name: 4-[[(3,4-dioxo-2-piperidin-1-yl-1-cyclobuteny l)amino]methyl]-N-(2-phenylethyl)cyclohexane- 1-carboxamide
  • MW: 423.548 | Formula: C25H33N3O3
  • H donors: 2 H acceptors: 3 LogP: 3.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCC(CC1)CNC1=C(C(=O)C1=O)N1CCCCC1)NCCc1ccccc1
  • InChi: 1S/C25H33N3O3/c29-23-21(22(24(23)30)28-15-5-2-6-16-28)27-17-19-9-11-20(12-10-19)25(31)26-14-13-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,27H,2,5-6,9-17H2,(H,26,31)
  • InChiKey: YSXRDJXNNKASRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[[3,4-dioxo-2-(1-piperidyl)-1-cyclobutenyl]amino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
  • 4-[[[3,4-dioxo-2-(1-piperidyl)-1-cyclobutenyl]amino]methyl]-N-(2-phenylethyl)-1-cyclohexanecarboxamide
  • 4-[[(3,4-diketo-2-piperidino-1-cyclobutenyl)amino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
  • 4-{[(3,4-dioxo-2-piperidin-1-ylcyclobut-1-en-1-yl)amino]methyl}-N-(2-phenylethyl)cyclohexanecarboxamide
  • MLS000586948
  • SMR000208878

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) 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
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) tubulin beta-1 chain 0.0025 0.0092 0.0176
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Loa Loa (eye worm) tubulin beta-4 chain 0.0025 0.0092 0.0176
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.0025 0.0096 0.016
Schistosoma mansoni polyhomeotic 0.0025 0.0096 0.0096
Plasmodium vivax JmjC domain containing protein 0.0029 0.0142 0.4434
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0049 0.0082
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0028 0.0137 0.0228
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0096 0.2996
Brugia malayi jmjC domain containing protein 0.0025 0.0098 0.0164
Giardia lamblia Kinesin-13 0.0025 0.0096 0.0079
Loa Loa (eye worm) mbt repeat family protein 0.0273 0.3086 0.5895
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0092 0.0153
Echinococcus granulosus beta tubulin 0.0025 0.0092 0.0153
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.052 0.0353
Trypanosoma brucei beta tubulin 0.0025 0.0092 0.2879
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Schistosoma mansoni sex comb on midleg homolog 0.0262 0.2957 0.2957
Schistosoma mansoni phd finger protein 0.0042 0.03 0.03
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0049 0.3454
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Giardia lamblia Beta tubulin 0.0025 0.0092 0.0072
Echinococcus multilocularis importin subunit beta 1 0.0029 0.014 0.0233
Echinococcus granulosus dnaJ subfamily B 0.0405 0.4675 0.7795
Trichomonas vaginalis tubulin epsilon chain, putative 0.0025 0.0092 0.0154
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0025 0.0092 0.0153
Echinococcus multilocularis histone acetyltransferase myst3 0.0042 0.03 0.05
Schistosoma mansoni hypothetical protein 0.0515 0.5996 0.5996
Brugia malayi beta-lactamase family protein 0.0043 0.032 0.0533
Echinococcus granulosus histone acetyltransferase MYST2 0.0095 0.0936 0.1561
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0095 0.0936 0.1561
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0096 0.2996
Plasmodium vivax protein kinase, putative 0.0025 0.0096 0.2996
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Loa Loa (eye worm) MBCTL1 0.0095 0.0936 0.1788
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.032 0.032
Loa Loa (eye worm) CHromoDomain protein family member 0.0028 0.0137 0.0261
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0533
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0377 0.0377
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Echinococcus granulosus cpg binding protein 0.0045 0.0343 0.0571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0377 0.0377
Giardia lamblia Beta tubulin 0.0025 0.0092 0.0072
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Echinococcus multilocularis pdz domain containing protein 0.0025 0.0096 0.016
Echinococcus granulosus Sterile alpha motif type 0.0025 0.0096 0.016
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0092 0.0153
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.052 0.0353
Schistosoma mansoni sex comb on midleg homolog 0.0262 0.2957 0.2957
Echinococcus granulosus liprin alpha 2 0.0025 0.0096 0.016
Echinococcus granulosus tubulin subunit beta 0.0025 0.0092 0.0153
Schistosoma mansoni hypothetical protein 0.0305 0.3468 0.3468
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0049 0.1532
Mycobacterium tuberculosis Conserved hypothetical protein 0.0515 0.5996 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Brugia malayi Sphingomyelin synthase-related 1 0.0025 0.0096 0.016
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0032 0.0181 0.3476
Schistosoma mansoni hypothetical protein 0.0025 0.0096 0.0096
Schistosoma mansoni myst-related protein 0.0019 0.0021 0.0021
Echinococcus granulosus geminin 0.0179 0.1951 0.3252
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0125
Brugia malayi jmjC domain containing protein 0.0137 0.1445 0.241
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0323 0.369 0.6151
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0377 0.0721
Trypanosoma cruzi beta tubulin, putative 0.0025 0.0092 0.2879
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.001 0.0017
Schistosoma mansoni myelin transcription factor 1 myt1 0.0095 0.0936 0.0936
Toxoplasma gondii beta tubulin 0.0025 0.0092 0.177
Trichomonas vaginalis cgi-62, putative 0.0025 0.0096 0.016
Onchocerca volvulus Tankyrase homolog 0.0025 0.0096 0.016
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Brugia malayi Importin beta-1 subunit 0.0029 0.014 0.0233
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus multilocularis geminin 0.0179 0.1951 0.3252
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.032 0.0533
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0092 0.0153
Giardia lamblia Beta tubulin 0.0025 0.0092 0.0072
Schistosoma mansoni lip-related protein (liprin) alpha 0.0025 0.0096 0.0096
Echinococcus granulosus liprin alpha 2 0.0025 0.0096 0.016
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0125
Entamoeba histolytica tubulin family protein 0.0025 0.0092 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.032 0.0533
Plasmodium vivax importin-beta 2, putative 0.0029 0.014 0.4372
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0138 0.0264
Echinococcus multilocularis liprin alpha 2 0.0025 0.0096 0.016
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0025 0.0096 0.2996
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0049 0.1532
Brugia malayi hypothetical protein 0.0025 0.0096 0.016
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.014 0.4372
Echinococcus multilocularis polycomb protein SCMH1 0.0262 0.2957 0.4931
Schistosoma mansoni Protein aveugle 0.0025 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0098 0.0098
Schistosoma mansoni Protein aveugle 0.0025 0.0096 0.0096
Echinococcus multilocularis snurportin 1 0.0305 0.3468 0.5782
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Schistosoma mansoni spingomyelin synthetase-related 0.0025 0.0096 0.0096
Mycobacterium leprae Conserved hypothetical protein 0.0515 0.5996 1
Brugia malayi Tubulin beta-1 chain 0.0025 0.0092 0.0154
Echinococcus granulosus Transglutaminase 0.0515 0.5996 0.9996
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Loa Loa (eye worm) jmjC domain-containing protein 0.0137 0.1445 0.2761
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Onchocerca volvulus 0.0028 0.0138 0.0231
Brugia malayi RNA, U transporter 1 0.0081 0.0774 0.1291
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0075 0.2337
Brugia malayi CHD4 protein 0.0028 0.0137 0.0228
Loa Loa (eye worm) tnks protein 0.0025 0.0096 0.0183
Echinococcus multilocularis tubulin beta 1 chain 0.0025 0.0092 0.0153
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.0611
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus multilocularis lysine specific demethylase 5A 0.0077 0.0718 0.1197
Echinococcus granulosus polycomb protein SCMH1 0.0262 0.2957 0.4931
Onchocerca volvulus 0.0298 0.3386 0.5647
Loa Loa (eye worm) AIDA-1b 0.0025 0.0096 0.0183
Plasmodium falciparum JmjC domain-containing protein, putative 0.0029 0.0142 1
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0025 0.0096 0.016
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0075 0.0125
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.052 0.052
Brugia malayi AIDA-1b 0.0025 0.0096 0.016
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus multilocularis chromobox protein 2 0.0195 0.2141 0.3569
Entamoeba histolytica tubulin family protein 0.0025 0.0092 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Plasmodium vivax hypothetical protein, conserved 0.0043 0.032 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0445 0.8553
Echinococcus granulosus sphingomyelin synthase protein 1 0.0025 0.0096 0.016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.052 0.0867
Mycobacterium tuberculosis Conserved hypothetical protein 0.0515 0.5996 1
Schistosoma mansoni ran 0.0021 0.0049 0.0049
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.3468 0.6625
Echinococcus granulosus tubulin beta 1 chain 0.0025 0.0092 0.0153
Brugia malayi hypothetical protein 0.0025 0.0096 0.016
Toxoplasma gondii beta-1 tubulin, putative 0.0025 0.0092 0.177
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0049 0.1532
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0025 0.0098 0.0164
Echinococcus multilocularis beta tubulin 0.0025 0.0092 0.0153
Toxoplasma gondii beta-tubulin, putative 0.0025 0.0092 0.177
Trichomonas vaginalis tubulin alpha chain, putative 0.0025 0.0092 0.0154
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0049 0.0094
Onchocerca volvulus 0.0043 0.032 0.0533
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0028 0.0137 0.0228
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.032 0.0533
Loa Loa (eye worm) hypothetical protein 0.0029 0.014 0.0267
Brugia malayi coiled-coil like protein 1 0.0025 0.0096 0.016
Trichomonas vaginalis tubulin, putative 0.0025 0.0092 0.0154
Brugia malayi bicaudal-C 0.0025 0.0096 0.016
Mycobacterium ulcerans putative transglutaminase-like protein 0.0515 0.5996 1
Onchocerca volvulus 0.0043 0.032 0.0533
Mycobacterium ulcerans hypothetical protein 0.0515 0.5996 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0377 0.0377
Trichomonas vaginalis tubulin epsilon chain, putative 0.0025 0.0092 0.0154
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.014 0.2687
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.052 0.0353
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Mycobacterium leprae Conserved hypothetical protein 0.0515 0.5996 1
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0114 0.1173 0.1956
Mycobacterium tuberculosis Hypothetical protein 0.0515 0.5996 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0533
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.032 0.0533
Trichomonas vaginalis esterase, putative 0.0043 0.032 0.0533
Brugia malayi Shank2E 0.0025 0.0096 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0096 0.016
Giardia lamblia Hypothetical protein 0.0515 0.5996 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0093 0.0922 0.0922
Brugia malayi mbt repeat family protein 0.0273 0.3086 0.5147
Onchocerca volvulus 0.0025 0.0096 0.016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0377 0.0629
Brugia malayi mbt repeat family protein 0.0451 0.5235 0.8731
Trichomonas vaginalis tubulin beta chain, putative 0.0025 0.0092 0.0154
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Schistosoma mansoni myst-related protein 0.0019 0.0021 0.0021
Echinococcus granulosus pdz domain containing protein 0.0025 0.0096 0.016
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0095 0.0936 0.1561
Trypanosoma brucei beta tubulin 0.0025 0.0092 0.2879
Brugia malayi cask-interacting protein 2 0.0025 0.0096 0.016
Echinococcus granulosus snurportin 1 0.0305 0.3468 0.5782
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0025 0.0096 0.016
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Trichomonas vaginalis ran, putative 0.0021 0.0049 0.0082
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Schistosoma mansoni jumonji/arid domain-containing protein 0.0093 0.0922 0.0922
Loa Loa (eye worm) tubulin beta-2A chain 0.0025 0.0092 0.0176
Echinococcus multilocularis Sterile alpha motif SAM 0.0025 0.0096 0.016
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0085 0.0142
Echinococcus granulosus SAM and MBT domain containing protein 0.038 0.4375 0.7293
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0092 0.0153
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0451 0.5235 0.8731
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.052 0.0353
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.032 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.032 1
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0025 0.0096 0.2996
Entamoeba histolytica hypothetical protein 0.0023 0.0075 0.7566
Onchocerca volvulus 0.0025 0.0096 0.016
Mycobacterium tuberculosis Conserved protein 0.0515 0.5996 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0092 0.0153
Loa Loa (eye worm) hypothetical protein 0.0095 0.0936 0.1788
Schistosoma mansoni importin beta-1 0.0029 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0025 0.0096 0.0096
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0092 0.0153
Brugia malayi SET domain containing protein 0.0018 0.0007 0.0012
Echinococcus granulosus beta tubulin 0.0025 0.0092 0.0153
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0049 0.0941
Onchocerca volvulus 0.0515 0.5996 1
Echinococcus granulosus importin subunit beta 1 0.0029 0.014 0.0233
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.001 0.0017
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0025 0.0096 0.0183
Toxoplasma gondii hypothetical protein 0.0025 0.01 0.1926
Echinococcus multilocularis liprin alpha 2 0.0025 0.0096 0.016
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0049 0.0082
Echinococcus multilocularis cpg binding protein 0.0045 0.0343 0.0571
Echinococcus multilocularis beta tubulin 0.0025 0.0092 0.0153
Onchocerca volvulus 0.0043 0.032 0.0533
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0028 0.0137 0.0137
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.032 0.0533
Trichomonas vaginalis tubulin gamma chain, putative 0.0025 0.0092 0.0154
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.032 0.0611
Schistosoma mansoni cpg binding protein 0.0045 0.0343 0.0343
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0533
Onchocerca volvulus 0.0025 0.0096 0.016
Mycobacterium tuberculosis Long conserved protein 0.0515 0.5996 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.032 0.0611
Brugia malayi Liprin-alpha 2 0.0025 0.0096 0.016
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0025 0.0096 0.016
Loa Loa (eye worm) BEN-1 protein 0.0025 0.0092 0.0176
Echinococcus multilocularis tubulin subunit beta 0.0025 0.0092 0.0153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0377 0.0629
Loa Loa (eye worm) hypothetical protein 0.0451 0.5235 1
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0092 0.0153
Mycobacterium ulcerans hypothetical protein 0.0515 0.5996 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0049 0.0082
Schistosoma mansoni hypothetical protein 0.0323 0.369 0.369
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.052 0.0867
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0114 0.1173 0.1956
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0025 0.0096 0.016
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Echinococcus granulosus Sterile alpha motif SAM 0.0025 0.0096 0.016
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0515 0.5998 1
Onchocerca volvulus 0.0025 0.0096 0.016
Schistosoma mansoni cpg binding protein 0.0028 0.0138 0.0138
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0323 0.369 0.6151
Schistosoma mansoni SET domain protein 0.0018 0.0007 0.0007
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3143 0.4974
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0025 0.0096 0.0079
Leishmania major importin beta-1 subunit, putative 0.0023 0.0075 0.0547
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.001 0.0017
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0025 0.0098 0.0164
Echinococcus multilocularis Transglutaminase 0.0515 0.5996 0.9996
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0092 0.0153
Echinococcus granulosus lysine specific demethylase 5A 0.0093 0.0922 0.1538
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0049 0.1532
Plasmodium falciparum importin beta, putative 0.0029 0.014 0.986
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0377 0.0629
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0515 0.5998 1
Plasmodium falciparum zinc finger protein, putative 0.0019 0.0021 0.1473
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.0025 0.0096 0.016
Echinococcus granulosus histone acetyltransferase myst3 0.0042 0.03 0.05
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.032 1
Echinococcus multilocularis Sterile alpha motif type 0.0025 0.0096 0.016
Brugia malayi beta-lactamase 0.0043 0.032 0.0533
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0025 0.0096 0.0096
Entamoeba histolytica Ran family GTPase 0.0021 0.0049 0.3945
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Leishmania major hypothetical protein, conserved 0.0043 0.032 0.5746
Brugia malayi CXXC zinc finger family protein 0.0028 0.0138 0.0231
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0183
Trichomonas vaginalis peptide N-glycanase, putative 0.0515 0.5996 1
Schistosoma mansoni cpg binding protein 0.0045 0.0343 0.0343
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0377 0.063
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.052 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.052 0.052
Echinococcus granulosus polyhomeotic protein 2 0.0025 0.0096 0.016
Echinococcus granulosus tubulin beta 4A class IVa 0.0025 0.0092 0.0153
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.4675 0.7795
Toxoplasma gondii ABC1 family protein 0.0043 0.032 0.6146
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.038 0.4375 0.4375
Echinococcus granulosus chromobox protein 2 0.0195 0.2141 0.3569
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0025 0.0096 0.016
Onchocerca volvulus 0.0025 0.0096 0.016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0377 0.0629
Schistosoma mansoni tubulin subunit beta 0.0025 0.0092 0.0092
Brugia malayi Thioredoxin family protein 0.0515 0.5996 1
Trypanosoma brucei beta tubulin 0.0025 0.0092 0.2879
Schistosoma mansoni DNAj-like protein 0.0025 0.0096 0.0096
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0092 0.0153
Echinococcus multilocularis polyhomeotic protein 2 0.0025 0.0096 0.016
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.014 0.4372
Trypanosoma brucei beta tubulin 0.0025 0.0092 0.2879
Schistosoma mansoni hypothetical protein 0.0179 0.1951 0.1951
Toxoplasma gondii PLU-1 family protein 0.0043 0.0319 0.6123
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0523 0.0523
Loa Loa (eye worm) BEN-1 protein 0.0025 0.0092 0.0176
Onchocerca volvulus 0.0025 0.0096 0.016
Onchocerca volvulus 0.0018 0.0007 0.0012
Schistosoma mansoni chromobox protein 0.0195 0.2141 0.2141
Echinococcus multilocularis histone acetyltransferase MYST2 0.0095 0.0936 0.1561
Giardia lamblia Transglutaminase/protease, putative 0.0515 0.5996 1
Brugia malayi beta-lactamase family protein 0.0043 0.032 0.0533
Plasmodium falciparum tubulin beta chain 0.0025 0.0092 0.6493
Loa Loa (eye worm) tubulin beta chain 0.0025 0.0092 0.0176
Schistosoma mansoni ran 0.0021 0.0049 0.0049
Plasmodium vivax tubulin beta chain, putative 0.0025 0.0092 0.2879
Echinococcus multilocularis SAM and MBT domain containing protein 0.038 0.4375 0.7293
Mycobacterium ulcerans transglutaminase family protein 0.0515 0.5996 1
Trypanosoma cruzi hypothetical protein 0.0025 0.0096 0.2996
Brugia malayi beta-tubulin, identical 0.0025 0.0092 0.0154
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.052 1
Loa Loa (eye worm) beta-tubulin 0.0025 0.0092 0.0176
Leishmania major beta tubulin 0.0025 0.0092 0.0914
Schistosoma mansoni hypothetical protein 0.0405 0.4675 0.4675
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.032 0.032
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0092 0.0153
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0095 0.0936 0.1561
Schistosoma mansoni hypothetical protein 0.0179 0.1951 0.1951

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) = 6.3096 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 11.6891 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) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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