Detailed information for compound 1257127

Basic information

Technical information
  • TDR Targets ID: 1257127
  • Name: but-2-enedioic acid; N-[2-[4-(2-methoxyphenyl )piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohex anecarboxamide
  • MW: 538.635 | Formula: C29H38N4O6
  • H donors: 2 H acceptors: 6 LogP: 1.5 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)/C=C\C(=O)O.COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
  • InChi: 1S/C25H34N4O2.C4H4O4/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
  • InChiKey: XIGAHNVCEFUYOV-BTJKTKAUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • but-2-enedioic acid; N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide
  • but-2-enedioic acid; N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide
  • but-2-enedioic acid; N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide
  • W108_SIGMA
  • WAY-100635 maleate salt
  • EU-0101229
  • N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide maleate salt

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Escherichia coli endonuclease IV with intrinsic 3'-5' exonuclease activity Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei apurinic/apyrimidinic endonuclease Apn1, putative Get druggable targets OG5_129467 All targets in OG5_129467
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) Get druggable targets OG5_129467 All targets in OG5_129467
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii endonuclease IV APN Get druggable targets OG5_129467 All targets in OG5_129467
Plasmodium yoelii AP endonuclease 1 Get druggable targets OG5_129467 All targets in OG5_129467
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum AP endonuclease of the TIM barrel fold, possible bacterial horizontal transfer Get druggable targets OG5_129467 All targets in OG5_129467
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase Get druggable targets OG5_129467 All targets in OG5_129467
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) Get druggable targets OG5_129467 All targets in OG5_129467
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129467 All targets in OG5_129467
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis apurinic/apyrimidinic endonuclease Apn1 Get druggable targets OG5_129467 All targets in OG5_129467
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative Get druggable targets OG5_129467 All targets in OG5_129467
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans apurinic/apyrimidinic endonuclease/3'-repair diesterase Get druggable targets OG5_129467 All targets in OG5_129467
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans endonuclease IV Get druggable targets OG5_129467 All targets in OG5_129467
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Babesia bovis apurinic endonuclease (APN1) family protein Get druggable targets OG5_129467 All targets in OG5_129467
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Plasmodium knowlesi apurinic/apyrimidinic endonuclease Apn1, putative Get druggable targets OG5_129467 All targets in OG5_129467
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Chlamydia trachomatis endonuclease IV Get druggable targets OG5_129467 All targets in OG5_129467
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative Get druggable targets OG5_129467 All targets in OG5_129467
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_129467 All targets in OG5_129467
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum endonuclease V, putative Get druggable targets OG5_129467 All targets in OG5_129467
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.247536 1 1
Trichomonas vaginalis phosphomannomutase, putative 0.0176608 0.0495127 0.0495127
Schistosoma mansoni mannose-6-phosphate isomerase 0.247536 1 1
Schistosoma mansoni caspase-7 (C14 family) 0.0258177 0.0832399 0.0354842
Onchocerca volvulus Putative phosphomannomutase 0.0176608 0.0495127 0.5
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.133555 0.528712 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.147309 0.585579 0.563991
Toxoplasma gondii phosphomannomutase 0.0176608 0.0495127 0.0495127
Giardia lamblia Macrophage migration inhibitory factor 0.147309 0.585579 0.5
Trypanosoma cruzi phosphomannose isomerase, putative 0.247536 1 1
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.113981 0.447777 0.41901
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.247536 1 1
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.247536 1 1
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.133555 0.528712 0.5
Echinococcus granulosus caspase 0.0258177 0.0832399 0.0832399
Echinococcus multilocularis caspase 0.0258177 0.0832399 0.0354842
Plasmodium vivax macrophage migration inhibitory factor, putative 0.147309 0.585579 0.585579
Echinococcus multilocularis mannose 6 phosphate isomerase 0.247536 1 1
Plasmodium vivax phosphomannomutase, putative 0.0176608 0.0495127 0.0495127
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0763603 0.292223 0.255354
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0531149 0.196108 0.154232
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.147309 0.585579 0.585579
Loa Loa (eye worm) macrophage migration inhibitory factor 0.147309 0.585579 0.563991
Toxoplasma gondii phosphomannose isomerase type I protein 0.247536 1 1
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.147309 0.585579 0.585579
Entamoeba histolytica phosphomannose isomerase, putative 0.247536 1 1
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.247536 1 1
Echinococcus granulosus mannose 6 phosphate isomerase 0.247536 1 1
Brugia malayi Bm-MIF-1, identical 0.147309 0.585579 0.563991
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0258177 0.0832399 0.0832399
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.247536 1 0.5
Loa Loa (eye worm) acetyltransferase 0.0195973 0.0575198 0.00842417
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0763603 0.292223 0.255354
Trypanosoma brucei phosphomannose isomerase 0.247536 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0195973 0.0575198 0.00842417
Schistosoma mansoni caspase-3 (C14 family) 0.0258177 0.0832399 0.0354842
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.247536 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0191914 0.0558415 0.0558415
Echinococcus multilocularis caspase 3 0.0202821 0.0603515 0.0114034
Leishmania major hypothetical protein, conserved 0.0763603 0.292223 0.255354
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0195973 0.0575198 0.00842417
Echinococcus granulosus caspase 3 0.0202821 0.0603515 0.0603515
Plasmodium falciparum macrophage migration inhibitory factor 0.147309 0.585579 0.563991
Trypanosoma cruzi phosphomannose isomerase, putative 0.247536 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.147309 0.585579 0.563991
Trichomonas vaginalis conserved hypothetical protein 0.147309 0.585579 0.585579
Brugia malayi acetyltransferase, GNAT family protein 0.0195973 0.0575198 0.00842417
Echinococcus granulosus phosphomannomutase 0.0176608 0.0495127 0.0495127
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0763603 0.292223 0.255354
Leishmania major macrophage migration inhibitory factor-like protein 0.147309 0.585579 0.563991
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0258177 0.0832399 0.0354842
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.247536 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0531149 0.196108 0.154232
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.247536 1 1
Leishmania major phosphomannose isomerase 0.247536 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -5.7 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.2 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay ChEMBL. 19734910
Potency (functional) = 0.0035 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 0.0035 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: Validation of Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 67.4555 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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