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

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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