Detailed information for compound 1481277

Basic information

Technical information
  • TDR Targets ID: 1481277
  • Name: (2S)-3-methyl-2-[[4-(phenylmethyl)piperidine- 1-carbonyl]amino]butanoic acid
  • MW: 318.411 | Formula: C18H26N2O3
  • H donors: 2 H acceptors: 3 LogP: 3.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H](C(=O)O)NC(=O)N1CCC(CC1)Cc1ccccc1)C
  • InChi: 1S/C18H26N2O3/c1-13(2)16(17(21)22)19-18(23)20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,23)(H,21,22)/t16-/m0/s1
  • InChiKey: RZJJBYLCZZUUJP-INIZCTEOSA-N  


Substructure search Similarity search

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Synonyms

  • (2S)-3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]butanoic acid
  • (2S)-2-[[4-(benzyl)piperidine-1-carbonyl]amino]-3-methyl-butyric acid
  • (2S)-3-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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 vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trichomonas vaginalis ap endonuclease, putative 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Cryptosporidium parvum conserved hypothetical protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
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 ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0429 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Onchocerca volvulus 0.0019 0.0274 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.0274 0.0006
Schistosoma mansoni hypothetical protein 0.0019 0.0286 0.0025
Schistosoma mansoni hypothetical protein 0.0175 0.6369 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.0274 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1699 0.2342
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.0274 0.1449
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0286 0.1511
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0274 0.0004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0274 0.0021
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1149 0.5415
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.0274 0.1449
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.0274 0.0021
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0274 0.0004
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0274 0.0004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0274 0.1449
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0274 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0429 0.054
Loa Loa (eye worm) hypothetical protein 0.006 0.1893 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.0274 0.0004
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0429 0.5
Brugia malayi hypothetical protein 0.0043 0.1239 0.5967
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0274 0.0004
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1893 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Onchocerca volvulus 0.0019 0.0274 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.0274 0.0004
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0271 0.143
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.0274 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Onchocerca volvulus 0.0019 0.0274 0.5
Brugia malayi Cation transporter family protein 0.0019 0.0274 0.0021
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0274 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1893 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1699 0.1468
Entamoeba histolytica hypothetical protein 0.0043 0.1239 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0286 0.0016
Onchocerca volvulus 0.0019 0.0274 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1699 0.2342
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Schistosoma mansoni ap endonuclease 0.0023 0.0429 0.0259
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0429 0.2266
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.0274 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0429 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1149 0.6071
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0429 0.0163
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.0274 0.0006
Schistosoma mansoni hypothetical protein 0.0041 0.1149 0.144
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0271 0.6311
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.0274 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1699 0.1468
Schistosoma mansoni hypothetical protein 0.0019 0.0286 0.0025
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0429 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.0274 0.0006
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0274 0.0004
Entamoeba histolytica hypothetical protein 0.0043 0.1239 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0274 0.0006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0274 0.0004
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.0274 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0286 0.0016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1699 0.1468
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1893 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.0274 0.0004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0286 0.0094
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0268 1 1
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0274 0.1449
Schistosoma mansoni ap endonuclease 0.0023 0.0429 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0429 0.5
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.0274 0.1449
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1699 0.8805
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0274 0.0006
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.0274 0.1449
Echinococcus granulosus geminin 0.0175 0.6369 0.6268
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1239 0.0995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.0274 0.0021
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0274 0.0006
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.0274 0.0004
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0429 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0271 0.6311
Onchocerca volvulus 0.0019 0.0274 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0429 1
Echinococcus granulosus GPCR family 2 0.0019 0.0286 0.0016
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.0274 0.0004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0274 0.0021
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0274 0.0004
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.0274 0.0004
Schistosoma mansoni hypothetical protein 0.0043 0.1239 0.1587
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0429 0.0975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Brugia malayi Cation transporter family protein 0.0019 0.0274 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1699 0.1468
Entamoeba histolytica hypothetical protein 0.0043 0.1239 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0286 0.1511
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0429 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Echinococcus granulosus nAChR subunit 0.0019 0.0274 0.0004
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Onchocerca volvulus 0.0019 0.0274 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0429 0.1635
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0271 0.6311
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0274 0.0004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1699 0.2342
Onchocerca volvulus Putative nachr subunit 0.0019 0.0274 0.5
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Leishmania major hypothetical protein, conserved 0.0097 0.334 1
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1699 0.8976
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.0274 0.0021
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.0274 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0286 0.0016
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0271 0.6311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0429 0.054
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0286 0.0094
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1239 0.1587
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0286 0.0016
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Schistosoma mansoni hypothetical protein 0.0019 0.0286 0.0025
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0271 0.143
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0429 0.0515
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1239 0.0995
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.0274 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0271 0.6311
Schistosoma mansoni hypothetical protein 0.0175 0.6369 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.0274 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0274 0.0004
Echinococcus multilocularis GPCR, family 2 0.0019 0.0286 0.0016
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0429 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0286 0.0025
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0274 0.0021
Echinococcus multilocularis nAChR subunit 0.0019 0.0274 0.0004
Entamoeba histolytica hypothetical protein 0.0043 0.1239 1
Brugia malayi Cation transporter family protein 0.0019 0.0274 0.0021
Loa Loa (eye worm) LGC-31 protein 0.0019 0.0274 0.1449
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0429 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Toxoplasma gondii exonuclease III APE 0.0023 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.0274 0.0021
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0274 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.0274 0.0021
Loa Loa (eye worm) hypothetical protein 0.0019 0.0274 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0271 0.6311
Trypanosoma cruzi hypothetical protein, conserved 0.0094 0.32 1
Echinococcus multilocularis geminin 0.0175 0.6369 0.6268
Schistosoma mansoni nAChR subunit 0.0019 0.0274 0.0006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 56.2341 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

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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