Detailed information for compound 1293703

Basic information

Technical information
  • TDR Targets ID: 1293703
  • Name: 2,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)carb amothioyl]propanamide
  • MW: 305.438 | Formula: C16H23N3OS
  • H donors: 2 H acceptors: 1 LogP: 3.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccccc1N1CCCC1)NC(=O)C(C)(C)C
  • InChi: 1S/C16H23N3OS/c1-16(2,3)14(20)18-15(21)17-12-8-4-5-9-13(12)19-10-6-7-11-19/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,17,18,20,21)
  • InChiKey: QPQDLIIZXCKISB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-dimethyl-N-[[(2-1-pyrrolidinylphenyl)amino]-thioxomethyl]propanamide
  • 2,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)thiocarbamoyl]propionamide
  • 2,2-dimethyl-N-({[2-(1-pyrrolidinyl)phenyl]amino}carbonothioyl)propanamide
  • MLS000675690
  • SMR000292076
  • STK248189
  • ZINC00463758

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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 chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
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 mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0035 0.0375 0.0303
Loa Loa (eye worm) nuclear receptor NHR-67 0.0028 0.0275 0.0257
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0275 0.0394
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0275 0.0394
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0028 0.0275 0.0394
Echinococcus multilocularis chromobox protein 1 0.0084 0.1087 0.1556
Loa Loa (eye worm) RNA binding protein 0.0076 0.0977 0.0994
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0672 0.9553 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0059 0.0722 0.0729
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0977 0.1399
Entamoeba histolytica hypothetical protein 0.0014 0.0074 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0028 0.0275 0.0257
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0606 0.5254
Schistosoma mansoni nuclear receptor 0.0028 0.0275 0.0394
Echinococcus multilocularis cpg binding protein 0.0037 0.0404 0.0578
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0059 0.0722 0.1034
Onchocerca volvulus Protein ultraspiracle homolog 0.0059 0.0722 0.0653
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.0275 0.0259
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0671 0.0673
Loa Loa (eye worm) hypothetical protein 0.0644 0.9154 0.9581
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0059 0.0722 0.0729
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0059 0.0722 0.0727
Echinococcus granulosus nuclear receptor nhr 48 0.0028 0.0275 0.0394
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0393 0.554 0.793
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1087 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0671 0.0961
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0059 0.0722 0.1034
Schistosoma mansoni coup transcription factor 0.0059 0.0722 0.1034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0059 0.0722 0.0729
Schistosoma mansoni hypothetical protein 0.0494 0.6986 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Echinococcus granulosus thyroid hormone receptor alpha 0.0028 0.0275 0.0394
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0059 0.0722 0.0729
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0059 0.0722 0.0727
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0127 0.0518
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0135 0.0599
Echinococcus granulosus Chromobox protein 3 0.0014 0.0074 0.0106
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0762 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.0275 0.0259
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Brugia malayi nuclear receptor RXR 0.0031 0.0323 0.0309
Echinococcus granulosus Chromo domain 0.0014 0.0074 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0059 0.0722 0.0727
Brugia malayi RNA binding protein 0.0076 0.0977 0.0996
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0307
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0074 0.0048
Brugia malayi tailless protein 0.0028 0.0275 0.0259
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.003 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0357 0.2789
Schistosoma mansoni thyroid hormone receptor 0.0059 0.0722 0.1034
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0323 0.0309
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0085 0.0122
Schistosoma mansoni steroid hormone receptor ad4bp 0.0059 0.0722 0.1034
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0059 0.0722 0.0729
Brugia malayi ecdysteroid receptor 0.0059 0.0722 0.0729
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0028 0.0275 0.0203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0671 0.0961
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.0323 0.0462
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.0275 0.0259
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0074 0.0106
Brugia malayi hypothetical protein 0.0028 0.0275 0.0259
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1087 0.111
Brugia malayi Heterochromatin protein 1 0.0084 0.1087 0.1112
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0275 0.0394
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0275 0.0259
Echinococcus multilocularis ecdysone induced protein 78C 0.0059 0.0722 0.1034
Echinococcus granulosus chromobox protein 1 0.0084 0.1087 0.1556
Brugia malayi photoreceptor-specific nuclear receptor 0.0059 0.0722 0.0729
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0059 0.0722 0.1034
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0555 0.4746
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Brugia malayi hypothetical protein 0.0031 0.0323 0.0309
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0408 0.0397
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0059 0.0722 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0059 0.0722 0.0729
Brugia malayi nuclear receptor NHR-88 0.0028 0.0275 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0059 0.0722 0.0727
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0977 0.1399
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0762 0.109
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0762 0.6788
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.0961
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0074 0.0106
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0074 0.0106
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0977 0.0994
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.0275 0.0259
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0187 0.1117
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0059 0.0722 0.0727
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0059 0.0722 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0059 0.0722 0.0729
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.0961
Echinococcus granulosus chromobox protein 2 0.0014 0.0074 0.0106
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0307
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0762 0.6788
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0275 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Loa Loa (eye worm) steroid hormone receptor 0.0059 0.0722 0.0727
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0059 0.0722 0.0729
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0762 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0762 0.109
Brugia malayi nuclear hormone receptor 0.0059 0.0722 0.0729
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0671 0.0961
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0977 0.0994
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0762 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0555 0.4746
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0275 0.0394
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0074 0.5
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0074 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0059 0.0722 0.1034
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.0323 0.0307
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6986 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0135 0.0599
Brugia malayi hypothetical protein 0.0031 0.0323 0.0309
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Brugia malayi MAP kinase sur-1 0.0062 0.0762 0.077
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0671 0.0961
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0762 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1087 1
Onchocerca volvulus 0.0028 0.0275 0.0203
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0375 0.0362
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0671 0.0675
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0059 0.0722 0.1034
Schistosoma mansoni cpg binding protein 0.0035 0.0375 0.0537
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0762 0.109
Brugia malayi hypothetical protein 0.0028 0.0275 0.0259
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0323 0.0462
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0074 0.0106
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0059 0.0722 0.1034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0028 0.0275 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Echinococcus granulosus FTZ F1 alpha 0.0059 0.0722 0.1034
Brugia malayi CXXC zinc finger family protein 0.0035 0.0375 0.0364
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0762 0.6788
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Schistosoma mansoni zinc finger protein 0.0028 0.0275 0.0394
Brugia malayi nuclear receptor NHR-88 0.0059 0.0722 0.0729
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0977 0.1399
Onchocerca volvulus Bile acid receptor homolog 0.0059 0.0722 0.0653
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Plasmodium falciparum heterochromatin protein 1 0.0014 0.0074 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0404 0.0578
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0059 0.0722 0.1034
Echinococcus multilocularis Chromo domain 0.0014 0.0074 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0977 0.1399
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0059 0.0722 0.1034
Brugia malayi ecdysone receptor 0.0028 0.0275 0.0259
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0307
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0103 0.0076
Entamoeba histolytica hypothetical protein 0.0014 0.0074 0.5
Schistosoma mansoni nuclear hormone receptor 0.0059 0.0722 0.1034
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0103 0.0147
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0074 0.0048
Brugia malayi nuclear hormone receptor 0.0672 0.9553 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Brugia malayi chromobox protein homolog 3 0.0047 0.0555 0.0553
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0762 0.0768
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0762 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.003 0.0044
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0028 0.0275 0.0203
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0307
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.0961
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0275 0.0259
Schistosoma mansoni nuclear receptor nhr-48 0.0028 0.0275 0.0394
Onchocerca volvulus 0.0037 0.0408 0.0337
Schistosoma mansoni chromobox protein 0.0014 0.0074 0.0106
Brugia malayi TAR-binding protein 0.0076 0.0977 0.0996
Brugia malayi SET domain containing protein 0.0015 0.0085 0.0059
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0074 0.0048
Brugia malayi CHD4 protein 0.0016 0.0103 0.0078
Echinococcus multilocularis chromobox protein 1 0.0084 0.1087 0.1556
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0762 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0187 0.1117
Brugia malayi steroid hormone receptor 0.0059 0.0722 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0059 0.0722 0.0729
Loa Loa (eye worm) hypothetical protein 0.0047 0.0555 0.0551
Echinococcus multilocularis thyroid hormone receptor alpha 0.0059 0.0722 0.1034
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0307
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0762 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0059 0.0722 0.1034
Echinococcus multilocularis nuclear receptor nhr 48 0.0028 0.0275 0.0394
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0103 0.0147
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0606 0.5254
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0059 0.0722 0.1034
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0028 0.0275 0.0394
Echinococcus granulosus chromobox protein 1 0.0084 0.1087 0.1556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0275 0.0394
Entamoeba histolytica hypothetical protein 0.0014 0.0074 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0059 0.0722 0.1034
Echinococcus multilocularis FTZ F1 alpha 0.0059 0.0722 0.1034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0059 0.0722 0.0727
Echinococcus granulosus ecdysone induced protein 78C 0.0059 0.0722 0.1034
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0935 0.1338
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0059 0.0722 0.1034
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0762 0.9197
Schistosoma mansoni hypothetical protein 0.0014 0.0074 0.0106
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0103 0.0147
Echinococcus multilocularis chromobox protein 2 0.0014 0.0074 0.0106
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0762 0.109
Onchocerca volvulus 0.0028 0.0275 0.0203
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0074 0.0106
Loa Loa (eye worm) helicase 0.0014 0.0074 0.0046
Onchocerca volvulus 0.0059 0.0722 0.0653
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0822 1
Schistosoma mansoni chromobox protein 0.0084 0.1087 0.1556
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0275 0.0394
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0977 0.1399
Onchocerca volvulus 0.0015 0.0085 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0059 0.0722 0.0727
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0425 0.5987 0.857
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0059 0.0722 0.1034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0059 0.0722 0.1034
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6986 1
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0074 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0404 0.0578
Loa Loa (eye worm) hypothetical protein 0.0028 0.0275 0.0257
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0074 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0074 0.5
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0074 0.0106
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.0323 0.0462
Trypanosoma brucei protein kinase, putative 0.0062 0.0762 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0555 0.0484
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0722 0.0729
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0762 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0028 0.0275 0.0394
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0606 0.0536
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0977 0.0996
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.0323 0.0462
Brugia malayi Protein cec-1. 0.0014 0.0074 0.0048
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0059 0.0722 0.1034
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0059 0.0722 0.1034
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0275 0.0394
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0074 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0059 0.0722 0.0729
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0059 0.0722 0.1034
Brugia malayi nuclear receptor RXR 0.0028 0.0275 0.0259
Schistosoma mansoni RAR-like nuclear receptor 0.0059 0.0722 0.1034
Schistosoma mansoni cpg binding protein 0.0037 0.0404 0.0578
Loa Loa (eye worm) hypothetical protein 0.0014 0.0074 0.0046
Brugia malayi Steroid receptor seven-up type 2 0.0059 0.0722 0.0729
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0762 0.109
Brugia malayi hypothetical protein 0.0014 0.0074 0.0048
Schistosoma mansoni nuclear receptor 0.0028 0.0275 0.0394
Schistosoma mansoni chromobox protein 0.0084 0.1087 0.1556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0059 0.0722 0.1034
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0357 0.2789
Brugia malayi nuclear receptor NHR-67 0.0028 0.0275 0.0259
Schistosoma mansoni retinoic acid receptor RXR 0.0425 0.5987 0.857
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Loa Loa (eye worm) DR-78 0.0028 0.0275 0.0257
Echinococcus granulosus tar DNA binding protein 0.0076 0.0977 0.1399
Loa Loa (eye worm) hypothetical protein 0.0059 0.0722 0.0727
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0977 0.1399
Brugia malayi conserved hypotetical protein 0.0028 0.0275 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0059 0.0722 0.0729
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0323 0.0309
Schistosoma mansoni thyroid hormone receptor 0.0059 0.0722 0.1034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0187 0.1117
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0762 0.6788
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0074 0.5
Schistosoma mansoni chromobox protein 0.0014 0.0074 0.0106

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 4.4668 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) 7.9433 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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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