Detailed information for compound 1408089

Basic information

Technical information
  • TDR Targets ID: 1408089
  • Name: 3-chloro-N-[3-[(3-chloro-4-nitrobenzoyl)amino ]-2,2-dimethylpropyl]-4-nitrobenzamide
  • MW: 469.275 | Formula: C19H18Cl2N4O6
  • H donors: 2 H acceptors: 6 LogP: 4.27 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)Cl)[N+](=O)[O-])NCC(CNC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])(C)C
  • InChi: 1S/C19H18Cl2N4O6/c1-19(2,9-22-17(26)11-3-5-15(24(28)29)13(20)7-11)10-23-18(27)12-4-6-16(25(30)31)14(21)8-12/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,27)
  • InChiKey: QMUXASORLUENRK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 3-chloro-N-[3-[(3-chloro-4-nitro-benzoyl)amino]-2,2-dimethyl-propyl]-4-nitro-benzamide
  • 3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide
  • 3-chloro-N-[3-[(3-chloro-4-nitro-phenyl)carbonylamino]-2,2-dimethyl-propyl]-4-nitro-benzamide
  • IVK/9070366
  • MLS000545868
  • SMR000159469
  • AK-968/15359410
  • 3-chloro-N-[3-({3-chloro-4-nitrobenzoyl}amino)-2,2-dimethylpropyl]-4-nitrobenzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens G protein-coupled receptor 55 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
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 polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0111 0.1852
Onchocerca volvulus 0.0315 0.3142 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0461 0.0524
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0111 0.1852
Echinococcus granulosus neuropeptide receptor A26 0.0561 0.5685 0.6687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0017 0.0053
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0201 0.1366
Entamoeba histolytica hypothetical protein 0.0043 0.0339 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.022 0.3975
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0033 0.0107
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0111 0.1852
Echinococcus multilocularis sodium bile acid cotransporter 0.0315 0.3142 0.313
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0339 0.038
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0412 0.1312
Brugia malayi Muscleblind-like protein 0.018 0.1753 0.5556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0017 0.0053
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.014 0.0578
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0021 0.0111 0.02
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0021 0.0111 0.02
Onchocerca volvulus 0.0028 0.0181 0.0525
Mycobacterium ulcerans thioesterase 0.0025 0.0149 0.0694
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0111 0.1852
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0021 0.0111 0.02
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0111 0.02
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.014 0.0578
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0021 0.0111 0.02
Loa Loa (eye worm) hypothetical protein 0.018 0.1753 0.558
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0221 0.0702
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0111 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0461 0.0524
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0111 0.1852
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0192 0.3414
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0021 0.0111 0.02
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0461 0.1422
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.0355 0.6588
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0149 0.2592
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0111 0.1852
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.045 0.1387
Schistosoma mansoni sodium-bile acid cotransporter 0.0187 0.1824 0.2131
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0866 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0021 0.0111 0.02
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0461 0.0524
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0021 0.0111 0.02
Onchocerca volvulus Huntingtin homolog 0.0148 0.1418 0.4484
Echinococcus granulosus sodium bile acid cotransporter 0.0315 0.3142 0.3686
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0021 0.0111 0.02
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0221 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0201 0.059
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.022 0.2112
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0221 0.1619
Brugia malayi hypothetical protein 0.0043 0.0339 0.1032
Echinococcus multilocularis muscleblind protein 1 0.018 0.1753 0.1739
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0221 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.014 0.0578
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0111 0.1852
Onchocerca volvulus Huntingtin homolog 0.0148 0.1418 0.4484
Brugia malayi Cytochrome P450 family protein 0.0032 0.0221 0.0652
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0111 0.1852
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0479 0.1479
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.053 0.0605
Echinococcus multilocularis muscleblind protein 0.018 0.1753 0.1739
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0111 0.1852
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0021 0.0111 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0461 0.0524
Echinococcus granulosus sodium bile acid cotransporter 0.0315 0.3142 0.3686
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0866 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0339 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0201 0.36
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0149 0.0694
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.053 0.5636
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0017 0.0053
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.022 0.1616
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0111 0.1852
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.022 0.1616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0461 0.0445
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0017 0.0053
Leishmania major cytochrome p450-like protein 0.0032 0.0221 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0111 0.0303
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0866 0.1001
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0021 0.0111 0.02
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0111 0.1852
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0111 0.1852
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0017 0.0053
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.022 0.1616
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0192 0.3414
Echinococcus granulosus sodium bile acid cotransporter 0.0315 0.3142 0.3686
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0181 0.0525
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.022 0.1616
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0201 0.1366
Loa Loa (eye worm) fatty acid synthase 0.003 0.0197 0.0627
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0111 0.1852
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0111 0.1852
Echinococcus multilocularis neuropeptide receptor A26 0.0561 0.5685 0.5678
Mycobacterium leprae putative cytochrome p450 0.0021 0.0111 0.02
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0021 0.0111 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0461 0.0524
Echinococcus multilocularis sodium bile acid cotransporter 0.0315 0.3142 0.313
Brugia malayi Probable ClpP-like protease 0.0094 0.0866 0.2717
Schistosoma mansoni hypothetical protein 0.0043 0.0339 0.038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Echinococcus granulosus muscleblind protein 0.018 0.1753 0.2048
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0021 0.0111 0.02
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0221 0.0702
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0021 0.0111 0.02
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0021 0.0111 0.02
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0866 0.1001
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.022 0.1616
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0866 0.085
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0201 0.1366
Schistosoma mansoni cytochrome P450 0.0021 0.0111 0.0112
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0201 0.36
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0114 0.1897
Schistosoma mansoni sodium-bile acid cotransporter related 0.0315 0.3142 0.3686
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0111 0.1852
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.0355 0.336
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.022 0.3975
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0021 0.0111 0.02
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.053 0.0514
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0201 0.1366
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8494 0.8491
Schistosoma mansoni hypothetical protein 0.0021 0.0111 0.0112
Onchocerca volvulus 0.0052 0.0431 0.1325
Echinococcus multilocularis neuropeptide s receptor 0.0561 0.5685 0.5678
Echinococcus multilocularis sodium bile acid cotransporter 0.0315 0.3142 0.313
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0111 0.1852
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0092 0.0544
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0339 0.038
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0866 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0866 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0339 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.022 0.3975
Mycobacterium ulcerans polyketide synthase 0.0032 0.022 0.1616
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8494 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.0355 0.6588
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0112 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0111 0.1852
Mycobacterium ulcerans polyketide synthase 0.003 0.0201 0.1366
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0111 0.0779
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0201 0.1366
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0111 0.1852
Loa Loa (eye worm) cytochrome P450 0.0021 0.0111 0.0354
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0221 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0339 0.0323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0017 0.0053
Loa Loa (eye worm) hypothetical protein 0.0094 0.0866 0.2755
Schistosoma mansoni sodium-bile acid cotransporter related 0.0128 0.1209 0.1406
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0181 0.3203
Loa Loa (eye worm) hypothetical protein 0.0148 0.1418 0.4514
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0461 0.1467
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0067 0.0992
Brugia malayi cytochrome P450 0.0021 0.0111 0.0303
Brugia malayi Cytochrome P450 family protein 0.0067 0.0587 0.1825
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0866 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8494 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.0355 0.336
Entamoeba histolytica hypothetical protein 0.0043 0.0339 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.053 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0181 0.0575
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0033 0.0227 0.1698
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0017 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0111 0.1852
Echinococcus multilocularis 0.0021 0.0111 0.0095
Brugia malayi Cytochrome P450 family protein 0.0032 0.0221 0.0652
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0053
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0587 0.1869
Echinococcus granulosus neuropeptide s receptor 0.0561 0.5685 0.6687
Brugia malayi hypothetical protein 0.0148 0.1418 0.4484
Brugia malayi Sodium Bile acid symporter family protein 0.0315 0.3142 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0021 0.0111 0.02
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0021 0.0111 0.02
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0201 0.1366
Loa Loa (eye worm) hypothetical protein 0.018 0.1753 0.558
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0201 0.36
Loa Loa (eye worm) hypothetical protein 0.0315 0.3142 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.053 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0017 0.0053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0461 0.0445
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0021 0.0111 0.02
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0145 0.2498
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0111 0.1852
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0221 0.0702
Loa Loa (eye worm) hypothetical protein 0.0148 0.1418 0.4514
Loa Loa (eye worm) hypothetical protein 0.0017 0.0065 0.0206
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0021 0.0111 0.02
Toxoplasma gondii hypothetical protein 0.0033 0.0227 0.2189
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0149 0.0694
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0021 0.0111 0.02

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 0.891250938 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.238721139 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.511886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 8.912509381 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
IC50 (functional) = 3.112318 uM PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2026, AID2809, AID2814, AID2815, AID2820, AID2822, AID2835, AID2836, AID485277, AID485278, AID485282, AID485283, AID485285, AID485286, AID485287, AID488947] ChEMBL. No reference
IC50 (functional) 5.44 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 6.06 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 64.575 uM PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay for biased ligands (antagonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 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) 2.0787 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) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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
Homo sapiens 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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