Detailed information for compound 1224486

Basic information

Technical information
  • TDR Targets ID: 1224486
  • Name: 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dih ydroindol-1-yl]ethanone
  • MW: 323.411 | Formula: C15H21N3O3S
  • H donors: 0 H acceptors: 3 LogP: 0.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)N(CC2)C(=O)C
  • InChi: 1S/C15H21N3O3S/c1-12(19)18-6-5-13-3-4-14(11-15(13)18)22(20,21)17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3
  • InChiKey: YVNOWNGCANSWIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[6-(4-methylpiperazin-1-yl)sulfonylindolin-1-yl]ethanone
  • 1-[6-[(4-methyl-1-piperazinyl)sulfonyl]-1-indolinyl]ethanone
  • 1-acetyl-6-[(4-methyl-1-piperazinyl)sulfonyl]indoline
  • MLS000704444
  • SMR000231882

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-lactamase 0.0043 0.0957 0.1025
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.1026 0.11
Giardia lamblia TCP-1 chaperonin subunit beta 0.0026 0.0391 0.0197
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0856 0.0918
Leishmania major DNA polymerase eta, putative 0.0049 0.1128 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0318 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1345 0.1441
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0568 0.0609
Loa Loa (eye worm) acetylcholinesterase 1 0.027 0.8421 0.9024
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0215 0.0021
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0957 0.171
Trichomonas vaginalis ran, putative 0.0021 0.0199 0.0002
Schistosoma mansoni chromobox protein 0.0076 0.202 0.2165
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.1026 0.0977
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0568 0.4881
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0514 0.0323
Echinococcus multilocularis chromobox protein 1 0.0076 0.202 0.2165
Loa Loa (eye worm) hypothetical protein 0.0042 0.0898 0.0963
Schistosoma mansoni hypothetical protein 0.0297 0.9331 1
Schistosoma mansoni gliotactin 0.0046 0.1026 0.11
Onchocerca volvulus 0.0043 0.0957 0.0522
Onchocerca volvulus 0.0043 0.0957 0.0522
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0026 0.0391 0.0418
Schistosoma mansoni acetylcholinesterase 0.0046 0.1026 0.11
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0215 0.1357
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0568 0.0609
Brugia malayi beta-lactamase family protein 0.0043 0.0957 0.1136
Echinococcus multilocularis acetylcholinesterase 0.027 0.8421 0.9024
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1681 0.1801
Brugia malayi Heterochromatin protein 1 0.0076 0.202 0.2399
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0957 0.0895
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0957 0.171
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Schistosoma mansoni zinc finger protein 0.0017 0.0071 0.0076
Plasmodium vivax SET domain protein, putative 0.0032 0.0593 0.521
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0215 0.0018
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.1026 0.0846
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0155 0.4641 1
Plasmodium falciparum importin beta, putative 0.0028 0.0442 0.6595
Brugia malayi Bromodomain containing protein 0.0082 0.2211 0.2626
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0957 0.8382
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0026 0.0391 0.0197
Onchocerca volvulus 0.0033 0.062 0.007
Leishmania major importin beta-1 subunit, putative 0.0023 0.0268 0.1861
Brugia malayi beta-lactamase family protein 0.0043 0.0957 0.1136
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0134 0.0144
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.1026 0.11
Loa Loa (eye worm) carboxylesterase 0.0046 0.1026 0.11
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0957 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0197 0.119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1345 0.1441
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0957 0.1025
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0215 0.0021
Trichomonas vaginalis esterase, putative 0.0043 0.0957 0.0775
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0268 0.1861
Entamoeba histolytica Ran family GTPase 0.0021 0.0199 0.0002
Echinococcus multilocularis chromobox protein 1 0.0076 0.202 0.2165
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0197 0.0211
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0197 0.5
Onchocerca volvulus 0.0046 0.1026 0.0616
Onchocerca volvulus 0.0257 0.8014 1
Schistosoma mansoni hypothetical protein 0.0022 0.0262 0.0281
Loa Loa (eye worm) hypothetical protein 0.0046 0.1052 0.1127
Leishmania major DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Loa Loa (eye worm) hypothetical protein 0.0077 0.2058 0.2205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1345 0.1441
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0262 0.0281
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0593 0.0635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Leishmania major T-complex protein 1, beta subunit, putative 0.0026 0.0391 0.3022
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.1026 0.11
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0215 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Brugia malayi chromobox protein homolog 3 0.0042 0.0923 0.1096
Mycobacterium ulcerans lipase LipD 0.0043 0.0957 0.171
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0923 0.074
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0856 0.0918
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.1204 0.129
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0923 0.074
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0957 0.0895
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0134 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0957 0.1025
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Echinococcus multilocularis dna polymerase eta 0.0049 0.1128 0.1209
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0215 0.1357
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0155 0.4641 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.6983 0.7484
Onchocerca volvulus 0.0045 0.1002 0.0583
Brugia malayi hypothetical protein 0.0046 0.1026 0.1219
Brugia malayi Importin beta-1 subunit 0.0028 0.0442 0.0524
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0026 0.0391 0.3022
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0215 0.1357
Echinococcus granulosus acetylcholinesterase 0.027 0.8421 0.9024
Loa Loa (eye worm) hypothetical protein 0.0044 0.0983 0.1054
Brugia malayi Carboxylesterase family protein 0.0046 0.1026 0.1219
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0977 0.1047
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0215 0.1357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1345 0.1441
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.1026 0.11
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.1026 0.11
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1029 0.0849
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.1029 0.0619
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0197 0.0211
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0957 0.0895
Mycobacterium ulcerans beta-lactamase 0.0043 0.0957 0.171
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0199 0.0213
Mycobacterium ulcerans hypothetical protein 0.0043 0.0957 0.171
Brugia malayi Bromodomain containing protein 0.0034 0.0653 0.0775
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.1128 1
Loa Loa (eye worm) carboxylesterase 0.027 0.8421 0.9024
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Brugia malayi Carboxylesterase family protein 0.027 0.8421 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0442 0.0473
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0957 0.8382
Loa Loa (eye worm) hypothetical protein 0.0028 0.0442 0.0473
Schistosoma mansoni DNA polymerase eta 0.0049 0.1128 0.1209
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0957 0.0895
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0651 0.5971
Trichomonas vaginalis chromobox protein, putative 0.0076 0.202 0.186
Brugia malayi Pre-SET motif family protein 0.0032 0.0593 0.0704
Echinococcus multilocularis snurportin 1 0.0297 0.9331 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0199 0.0236
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0811 0.0869
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0215 0.004
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0957 0.0895
Schistosoma mansoni ran 0.0021 0.0199 0.0213
Trichomonas vaginalis chaperonin, putative 0.0026 0.0391 0.0197
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0215 0.023
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.1026 0.11
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0856 0.0918
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0199 0.0055
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Loa Loa (eye worm) hypothetical protein 0.027 0.8421 0.9024
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0391 0.0418
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0197 0.0234
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0134 0.0144
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0391 0.0418
Onchocerca volvulus 0.0046 0.1026 0.0616
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0331 0.0355
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0593 0.521
Giardia lamblia Fructose-bisphosphate aldolase 0.0318 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0199 0.0027
Echinococcus granulosus peregrin 0.0034 0.0653 0.0699
Brugia malayi Carboxylesterase family protein 0.027 0.8421 1
Onchocerca volvulus 0.0046 0.1026 0.0616
Brugia malayi Carboxylesterase family protein 0.0046 0.1026 0.1219
Trichomonas vaginalis set domain proteins, putative 0.0257 0.8014 0.7974
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0957 0.0775
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0391 0.0464
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0568 0.4881
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0957 0.0895
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.1026 0.1866
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0268 0.0072
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0215 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1345 0.1441
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.1204 0.129
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0923 0.0477
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0268 0.0072
Brugia malayi jmjC domain containing protein 0.004 0.0856 0.1017
Echinococcus granulosus carboxylesterase 5A 0.027 0.8421 0.9024
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0199 0.0213
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0442 0.3506
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0215 0.023
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0155 0.4641 0.5236
Leishmania major hypothetical protein, conserved 0.0043 0.0957 0.8382
Onchocerca volvulus 0.0046 0.1026 0.0616
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.9331 1
Brugia malayi PHD-finger family protein 0.0032 0.0568 0.0674
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0957 0.1136
Echinococcus multilocularis carboxylesterase 5A 0.027 0.8421 0.9024
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.1026 0.0977
Echinococcus granulosus dna polymerase kappa 0.0021 0.0215 0.023
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.1026 0.11
Trypanosoma brucei unspecified product 0.0021 0.0215 0.1357
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0215 0.023
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.2946 0.3157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1204 0.129
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0197 0.119
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0391 0.0464
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.027 0.8421 0.9024
Plasmodium falciparum phd finger protein, putative 0.0032 0.0568 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0215 0.023
Echinococcus multilocularis zinc finger protein 0.0021 0.0225 0.0241
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0957 0.0895
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0268 0.0072
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0442 0.3506
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0156 0.0167
Trichomonas vaginalis chromobox protein, putative 0.0076 0.202 0.186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1345 0.1441
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0856 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0957 0.0775
Schistosoma mansoni hypothetical protein 0.0032 0.0568 0.0609
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0215 0.023
Echinococcus granulosus dna polymerase eta 0.0049 0.1128 0.1209
Toxoplasma gondii t-complex protein beta subunit 0.0026 0.0391 0.2547
Echinococcus granulosus acetylcholinesterase 0.027 0.8421 0.9024
Loa Loa (eye worm) carboxylesterase 0.0046 0.1026 0.11
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0593 0.0635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1345 0.1441
Schistosoma mansoni importin beta-1 0.0028 0.0442 0.0473
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.1002 0.1073
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.1128 0.1339
Echinococcus granulosus chromobox protein 1 0.0076 0.202 0.2165
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1663 0.1782
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0957 0.1025
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0957 0.0775
Schistosoma mansoni ap endonuclease 0.002 0.0197 0.0211
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.1026 0.11
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0514 0.0323
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Giardia lamblia PHD finger protein 15 0.0032 0.0568 0.0378
Brugia malayi Carboxylesterase family protein 0.0046 0.1026 0.1219
Giardia lamblia DINP protein human, muc B family 0.0021 0.0215 0.0018
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.1026 0.0846
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.1026 0.0977
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0331 0.0355
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0568 0.4881
Schistosoma mansoni zinc finger protein 0.0021 0.0225 0.0241
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.1026 0.11
Treponema pallidum fructose-bisphosphate aldolase 0.0318 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0957 0.0775
Mycobacterium tuberculosis Conserved protein 0.0043 0.0957 0.0895
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0134 0.0144
Mycobacterium tuberculosis Conserved protein 0.0043 0.0957 0.0895
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0811 0.0869
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Brugia malayi Bromodomain containing protein 0.0042 0.0896 0.1064
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0215 0.004
Echinococcus granulosus zinc finger protein 0.0021 0.0225 0.0241
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0026 0.0391 0.0418
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0442 0.3219
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Loa Loa (eye worm) hypothetical protein 0.0049 0.1128 0.1209
Loa Loa (eye worm) hypothetical protein 0.0054 0.1314 0.1409
Plasmodium vivax importin-beta 2, putative 0.0028 0.0442 0.3219
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.202 0.2165
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Echinococcus granulosus chromobox protein 1 0.0076 0.202 0.2165
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0199 0.121
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8685 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0957 0.1025
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0199 0.121
Schistosoma mansoni jumonji domain containing protein 0.0082 0.2242 0.2403
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0957 0.8382
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0391 0.0418
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1204 0.129
Echinococcus multilocularis neuroligin 0.0046 0.1026 0.11
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1663 0.1782
Schistosoma mansoni ran 0.0021 0.0199 0.0213
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0553 0.0593
Echinococcus multilocularis acetylcholinesterase 0.027 0.8421 0.9024
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 1 1
Echinococcus granulosus snurportin 1 0.0297 0.9331 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Brugia malayi RNA, U transporter 1 0.0079 0.2136 0.2536
Loa Loa (eye worm) hypothetical protein 0.0033 0.062 0.0665
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0568 0.0609
Onchocerca volvulus 0.0043 0.0957 0.0522
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0977 0.1047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1345 0.1597
Leishmania major GTP-binding protein, putative 0.0021 0.0199 0.121
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0957 0.1025
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0215 0.0018
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0199 0.121
Entamoeba histolytica hypothetical protein 0.0023 0.0268 0.0072
Brugia malayi Pre-SET motif family protein 0.0226 0.6983 0.8293
Echinococcus multilocularis peregrin 0.0034 0.0653 0.0699
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0788 0.0844
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.1026 0.11
Plasmodium falciparum T-complex protein 1 subunit beta 0.0026 0.0391 0.5219
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0197 0.119
Loa Loa (eye worm) hypothetical protein 0.027 0.8421 0.9024
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0651 0.5484
Echinococcus granulosus neuroligin 0.0046 0.1026 0.11
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0331 0.0355
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0568 0.0609
Schistosoma mansoni bromodomain containing protein 0.0069 0.1791 0.192
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0957 0.0895
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0199 0.0002
Schistosoma mansoni hypothetical protein 0.0017 0.0071 0.0076
Brugia malayi Carboxylesterase family protein 0.0046 0.1026 0.1219
Schistosoma mansoni chromobox protein 0.0076 0.202 0.2165
Brugia malayi PHD-finger family protein 0.0027 0.0416 0.0494
Onchocerca volvulus 0.0046 0.1026 0.0616
Loa Loa (eye worm) T-complex protein 1 0.0026 0.0391 0.0418
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.2946 0.3157
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0215 0.023
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0442 0.0473
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0197 0.119
Brugia malayi beta-lactamase 0.0043 0.0957 0.1136
Loa Loa (eye worm) hypothetical protein 0.0042 0.0923 0.0989
Brugia malayi jmjC domain containing protein 0.0104 0.2946 0.3498
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0197 0.0211
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Leishmania major DNA polymerase eta, putative 0.0034 0.0651 0.5484
Loa Loa (eye worm) hypothetical protein 0.0046 0.1026 0.11
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0957 0.0775
Schistosoma mansoni ap endonuclease 0.002 0.0197 0.0211
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0026 0.0391 0.2547
Loa Loa (eye worm) hypothetical protein 0.0032 0.0568 0.0609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1345 0.1441
Loa Loa (eye worm) hypothetical protein 0.0043 0.0957 0.1025
Toxoplasma gondii ABC1 family protein 0.0043 0.0957 1
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0026 0.0391 0.0197
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.1026 0.11
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0026 0.0391 0.3022
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0215 0.1357
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0199 0.0213
Loa Loa (eye worm) hypothetical protein 0.0051 0.1204 0.129
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1029 0.0849
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0199 0.0027

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 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. 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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