Detailed information for compound 1227091

Basic information

Technical information
  • TDR Targets ID: 1227091
  • Name: 4-[3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-h ydroxypropoxy]benzonitrile
  • MW: 427.538 | Formula: C27H29N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)COc1ccc(cc1)C#N
  • InChi: 1S/C27H29N3O2/c28-19-22-11-13-26(14-12-22)32-21-25(31)20-29-15-17-30(18-16-29)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27,31H,15-18,20-21H2
  • InChiKey: PLIYSHLLWGTRBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile
  • 4-[3-[4-[di(phenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzonitrile
  • T5525584

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Mycobacterium tuberculosis Conserved protein 0.0035 0.0507 0.0691
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0101 0.2647 0.2647
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.0002
Onchocerca volvulus 0.0104 0.274 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.3105 0.4693
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0965 0.0965
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0507 0.2124
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.076 0.076
Brugia malayi glutathione reductase 0.0051 0.1016 0.3275
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0205 0.0693
Schistosoma mansoni importin beta-1 0.0031 0.038 0.038
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1016 0.1016
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.352 0.5332
Plasmodium falciparum thioredoxin reductase 0.0051 0.1016 0.4537
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0507 0.0507
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0507 0.0691
Entamoeba histolytica hypothetical protein 0.0025 0.0192 0.0515
Schistosoma mansoni ran 0.0023 0.0118 0.0118
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0345 0.1355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1167 0.1167
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0521 0.2189
Brugia malayi hypothetical protein 0.0025 0.0205 0.0661
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0345 0.1355
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0118 0.0002
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0205 0.0693
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0192 0.0294
Loa Loa (eye worm) hypothetical protein 0.0041 0.0713 0.0713
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.352 0.5332
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0507 0.0691
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0507 0.0507
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0521 0.2189
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0507 0.0691
Brugia malayi CAAX amino terminal protease family protein 0.0101 0.2647 0.8531
Schistosoma mansoni hypothetical protein 0.0035 0.0521 0.0521
Mycobacterium ulcerans lipase LipD 0.0035 0.0507 0.2124
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0118 0.0002
Brugia malayi Thioredoxin reductase 0.0051 0.1016 0.3275
Loa Loa (eye worm) hypothetical protein 0.0086 0.2169 0.2169
Echinococcus granulosus peregrin 0.0035 0.0521 0.0521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1167 0.1167
Brugia malayi Trypsin family protein 0.0104 0.274 0.883
Leishmania major hypothetical protein, conserved 0.0035 0.0507 0.154
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1016 0.1016
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0192 0.0294
Echinococcus multilocularis importin subunit beta 1 0.0031 0.038 0.038
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3103 0.3103
Mycobacterium ulcerans beta-lactamase 0.0035 0.0507 0.2124
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.038 0.1038
Giardia lamblia Hypothetical protein 0.0101 0.2647 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.1016 0.1016
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.076 0.076
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0118 0.0002
Brugia malayi jmjC domain containing protein 0.0115 0.3103 1
Schistosoma mansoni hypothetical protein 0.0164 0.4663 0.4663
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.076 0.076
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0118 0.0118
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0118 0.0278
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0118 0.0118
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0521 0.0521
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0345 0.1355
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0118 0.028
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1016 0.3552
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0118
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0507 0.154
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0101 0.2647 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0507 0.154
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0507 0.0507
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2169 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0205 0.0346
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.121 0.1774
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.2169 0.2169
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0118 0.0002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0192 0.0294
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1167 0.1167
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0101 0.2647 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0507 0.0691
Schistosoma mansoni hypothetical protein 0.0041 0.0713 0.0713
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1167 0.376
Brugia malayi beta-lactamase family protein 0.0035 0.0507 0.1635
Plasmodium falciparum glutathione reductase 0.0051 0.1016 0.4537
Plasmodium falciparum phd finger protein, putative 0.0035 0.0521 0.2189
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.1016 0.1475
Plasmodium vivax importin-beta 2, putative 0.0031 0.038 0.1522
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0507 0.2124
Echinococcus granulosus CAAX prenyl protease 2 0.0101 0.2647 0.2647
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.121 0.2726
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0507 0.2124
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0507 0.0511
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0118 0.0118
Leishmania major hypothetical protein, conserved 0.0025 0.0205 0.0346
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0713 0.2296
Giardia lamblia PHD finger protein 15 0.0035 0.0521 0.1594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1167 0.1167
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0507 0.0511
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.038 0.1522
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1167 0.1167
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3103 0.3103
Loa Loa (eye worm) beta-lactamase 0.0035 0.0507 0.0507
Brugia malayi Probable ClpP-like protease 0.0086 0.2169 0.6991
Mycobacterium ulcerans hypothetical protein 0.0035 0.0507 0.2124
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0507 0.154
Loa Loa (eye worm) hypothetical protein 0.0025 0.0205 0.0205
Echinococcus multilocularis CAAX prenyl protease 2 0.0101 0.2647 0.2647
Plasmodium falciparum importin beta, putative 0.0031 0.038 0.1522
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0118 0.0091
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1167 0.1167
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.121 0.1774
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0118 0.0278
Brugia malayi beta-lactamase 0.0035 0.0507 0.1635
Echinococcus multilocularis peregrin 0.0035 0.0521 0.0521
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0507 0.0507
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0118 0.0118
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0118 0.028
Brugia malayi jmjC domain containing protein 0.0043 0.076 0.2448
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0507 0.154
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0101 0.2647 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0521 0.0061
Toxoplasma gondii exonuclease III APE 0.0023 0.0118 0.028
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0507 0.0691
Echinococcus granulosus importin subunit beta 1 0.0031 0.038 0.038
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0101 0.2647 0.2647
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1016 0.1016
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2339 0.2339
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0965 0.0965
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0205 0.0693
Leishmania major importin beta-1 subunit, putative 0.0025 0.0192 0.0294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1167 0.1167
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1327 0.1327
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.121 0.121
Loa Loa (eye worm) hypothetical protein 0.0104 0.274 0.274
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2169 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0507 0.2124
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.3105 0.4693
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0118 0.0379
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.2169 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.038 0.038
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Schistosoma mansoni hypothetical protein 0.0329 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0507 0.154
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.121 0.121
Trypanosoma brucei CAAX amino terminal protease, putative 0.0101 0.2647 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0118 0.0381
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.3105 0.8693
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.3105 0.4693
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0118 0.0229
Onchocerca volvulus 0.0097 0.2522 0.9021
Mycobacterium tuberculosis Conserved protein 0.0035 0.0507 0.0691
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0507 0.154
Schistosoma mansoni hypothetical protein 0.0164 0.4663 0.4663
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0507 0.0691
Mycobacterium tuberculosis Conserved protein 0.0035 0.0507 0.0691
Toxoplasma gondii hypothetical protein 0.003 0.0345 0.1355
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0521 0.0521
Loa Loa (eye worm) hypothetical protein 0.006 0.1327 0.1327
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.0002
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1327 0.4275
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1729 0.1729
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0521 0.0521
Brugia malayi PHD-finger family protein 0.0035 0.0521 0.1679
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Schistosoma mansoni ran 0.0023 0.0118 0.0118
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.274 0.274
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0192 0.0294
Toxoplasma gondii thioredoxin reductase 0.0051 0.1016 0.4537
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0205 0.0346
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0118 0.028
Entamoeba histolytica Ran family GTPase 0.0023 0.0118 0.0227
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0118 0.0278
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0521 0.0521
Brugia malayi Importin beta-1 subunit 0.0031 0.038 0.1225
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0118 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0205 0.0693
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.3105 0.4693
Plasmodium vivax glutathione reductase, putative 0.0051 0.1016 0.4537
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0507 0.154
Trichomonas vaginalis esterase, putative 0.0035 0.0507 0.154
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.2169 0.2169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1167 0.1167
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0118 0.0118
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0521 0.2189
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.352 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.274 0.274
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0507 0.0691
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.3105 0.4693
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.2169 0.5746
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0101 0.2647 1
Echinococcus granulosus geminin 0.0164 0.4663 0.4663
Trypanosoma brucei trypanothione reductase 0.0051 0.1016 0.3552
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0205 0.0346
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1327 0.4275
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.076 0.076
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2169 1
Brugia malayi Bromodomain containing protein 0.0035 0.0521 0.1679
Leishmania major trypanothione reductase 0.0051 0.1016 0.3552
Loa Loa (eye worm) hypothetical protein 0.0101 0.2647 0.2647
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.038 0.1038
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1016 0.4537
Entamoeba histolytica CAAX prenyl protease family 0.0101 0.2647 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.274 0.274
Echinococcus multilocularis snurportin 1 0.0329 1 1
Brugia malayi RNA, U transporter 1 0.0088 0.2213 0.7132
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0329 1 1
Echinococcus multilocularis geminin 0.0164 0.4663 0.4663
Loa Loa (eye worm) hypothetical protein 0.006 0.1332 0.1332
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.655 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0118 0.0118
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0507 0.0507
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0118
Brugia malayi beta-lactamase family protein 0.0035 0.0507 0.1635
Loa Loa (eye worm) hypothetical protein 0.0035 0.0507 0.0507
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0507 0.154
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.0521
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.352 0.5332
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.076 0.076
Mycobacterium tuberculosis Probable reductase 0.0115 0.3105 0.4693
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0118 0.028
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0507 0.1635

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 77 uM Inhibition of human His-tagged menin-biotinylated MLL (4 to 15) interaction after 1 hr by HTRF assay ChEMBL. 24472025
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.5193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 70.7946 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 2076, 1766 ] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) = 100 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Confirmation in an HTRF (commercial TR-FRET) Assay using His-tagged menin and biotin-labeled MLL peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 2076, 1766 ] ChEMBL. No reference
Potency (functional) = 316.2278 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 1766, 2076 ] 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

1 literature reference was collected for this gene.

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