Detailed information for compound 907571

Basic information

Technical information
  • TDR Targets ID: 907571
  • Name: ethyl N-[11-(diethylcarbamoyl)-5,6-dihydroben zo[b][1]benzazepin-9-yl]carbamate
  • MW: 381.468 | Formula: C22H27N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(CC)CC)c1ccccc1CC2
  • InChi: 1S/C22H27N3O3/c1-4-24(5-2)22(27)25-19-10-8-7-9-16(19)11-12-17-13-14-18(15-20(17)25)23-21(26)28-6-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,26)
  • InChiKey: PKVSXVOAGGXVLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[11-(diethylamino-oxomethyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • N-[11-(diethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • MLS000109152
  • SMR000105098
  • ZINC00869960
  • BAS 01947502
  • ChemDiv1_020895
  • STOCK1S-48443
  • Oprea1_621289
  • Oprea1_695860

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
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 ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
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 Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
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 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.129 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0624 0.7073
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.1286 0.1276
Echinococcus granulosus acetylcholinesterase 0.0134 0.4471 0.6344
Loa Loa (eye worm) hypothetical protein 0.0134 0.4471 0.4465
Brugia malayi AMP-binding enzyme family protein 0.0014 0.007 0.0059
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.007 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Onchocerca volvulus 0.0229 0.798 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.007 0.0546
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0474 0.3256
Schistosoma mansoni hypothetical protein 0.0101 0.3285 0.4658
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0232 0.1797
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0393 0.0543
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.129 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2898 0.4106
Onchocerca volvulus 0.0014 0.007 0.0074
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0624 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0232 0.0204
Brugia malayi AMP-binding enzyme family protein 0.0014 0.007 0.0059
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0393 0.0407
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0474 0.5155
Brugia malayi hypothetical protein 0.0025 0.0474 0.0463
Echinococcus granulosus carboxylesterase 5A 0.0134 0.4471 0.6344
Schistosoma mansoni ap endonuclease 0.0018 0.0232 0.0314
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.007 0.0546
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0232 0.1302
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0624 0.0872
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0393 0.0543
Schistosoma mansoni hypothetical protein 0.0047 0.1286 0.1814
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0783 0.6071
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0393 0.0543
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.129 0.9836
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0048 0.131 0.1848
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.1286 0.1814
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0232 0.1302
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0048 0.131 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0232 0.0221
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.5008 0.5002
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0232 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.4471 0.4465
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0393 0.3045
Brugia malayi Carboxylesterase family protein 0.0023 0.0393 0.0382
Brugia malayi AMP-binding enzyme family protein 0.0014 0.007 0.0059
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.129 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2898 0.4106
Onchocerca volvulus 0.0023 0.0393 0.0479
Mycobacterium ulcerans hypothetical protein 0.0047 0.129 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2898 0.4106
Loa Loa (eye worm) hypothetical protein 0.0035 0.0854 0.0843
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0474 0.5155
Leishmania major hypothetical protein, conserved 0.0025 0.0474 0.3256
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0048 0.131 0.1848
Trichomonas vaginalis set domain proteins, putative 0.0229 0.798 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0393 0.3045
Brugia malayi Pre-SET motif family protein 0.0202 0.6959 0.6955
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.5008 0.5002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.1286 0.1814
Brugia malayi Carboxylesterase family protein 0.0023 0.0393 0.0382
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.4471 0.6344
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.007 0.0546
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.129 0.9836
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4471 0.6344
Onchocerca volvulus 0.0023 0.0393 0.0479
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0474 0.7288
Brugia malayi AMP-binding enzyme family protein 0.0047 0.129 0.128
Echinococcus multilocularis GPCR, family 2 0.0047 0.1286 0.1814
Entamoeba histolytica hypothetical protein 0.0036 0.0887 0.6582
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.129 1
Brugia malayi Carboxylesterase family protein 0.0023 0.0393 0.0382
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0624 0.0872
Loa Loa (eye worm) hypothetical protein 0.0035 0.0854 0.0843
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.007 0.0546
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.131 1
Echinococcus multilocularis neuroligin 0.0023 0.0393 0.0543
Echinococcus granulosus hormone sensitive lipase 0.0204 0.7041 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0393 0.0543
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0393 0.0543
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3954 0.3947
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0232 0.5
Onchocerca volvulus 0.0014 0.007 0.0074
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0232 0.0221
Echinococcus multilocularis geminin 0.017 0.5795 0.8227
Echinococcus granulosus ubiquitin specific protease 41 0.0048 0.131 0.1848
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2898 0.289
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0624 0.0872
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0232 0.0314
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.007 0.0059
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.1286 0.1814
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0393 0.3045
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.129 0.9836
Loa Loa (eye worm) hypothetical protein 0.0101 0.3285 0.3278
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.1286 0.1276
Toxoplasma gondii exonuclease III APE 0.0018 0.0232 0.2914
Brugia malayi MH2 domain containing protein 0.012 0.3954 0.3947
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0048 0.131 0.1848
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0887 0.1245
Schistosoma mansoni hypothetical protein 0.0047 0.1286 0.1814
Loa Loa (eye worm) hypothetical protein 0.0035 0.0854 0.0843
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.129 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.129 0.128
Echinococcus granulosus acetylcholinesterase 0.0134 0.4471 0.6344
Schistosoma mansoni hypothetical protein 0.017 0.5795 0.8227
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.129 0.9836
Onchocerca volvulus 0.0047 0.129 0.1605
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.007 0.0084
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.007 0.0059
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0048 0.131 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.129 0.9836
Loa Loa (eye worm) carboxylesterase 0.0023 0.0393 0.0382
Loa Loa (eye worm) hypothetical protein 0.0048 0.131 0.13
Schistosoma mansoni hypothetical protein 0.0047 0.1286 0.1814
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Brugia malayi hypothetical protein 0.0016 0.0151 0.014
Loa Loa (eye worm) oxidoreductase 0.0014 0.007 0.0059
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0854 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0474 0.3256
Loa Loa (eye worm) hypothetical protein 0.0047 0.1286 0.1276
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0204 0.7041 1
Echinococcus granulosus geminin 0.017 0.5795 0.8227
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0474 0.5155
Brugia malayi hypothetical protein 0.0023 0.0393 0.0382
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0393 0.0543
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0232 0.0314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2898 0.4106
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0232 0.0204
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.6959 0.6955
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0393 0.0543
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0887 0.1245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2898 0.4106
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.131 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0393 0.0543
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0048 0.131 0.1567
Schistosoma mansoni hypothetical protein 0.017 0.5795 0.8227
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0887 0.1245
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3954 0.3947
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0232 0.1323
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.131 0.1567
Onchocerca volvulus 0.0023 0.0393 0.0479
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.007 0.0084
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.007 0.0084
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.129 1
Brugia malayi Carboxylesterase family protein 0.0134 0.4471 0.4465
Loa Loa (eye worm) hypothetical protein 0.0204 0.7041 0.7038
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0854 1
Schistosoma mansoni gliotactin 0.0023 0.0393 0.0543
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.131 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0624 0.0614
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.007 0.0546
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4471 0.6344
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.5008 0.5002
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0232 0.2061
Schistosoma mansoni hypothetical protein 0.0047 0.1286 0.1814
Schistosoma mansoni acetylcholinesterase 0.0023 0.0393 0.0543
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0783 0.6071
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0393 0.2643
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.007 0.0059
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0624 0.0872
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0393 0.0543
Brugia malayi AMP-binding enzyme family protein 0.0014 0.007 0.0059
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.129 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.129 0.128
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.129 1
Entamoeba histolytica hypothetical protein 0.0036 0.0887 0.6582
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.1286 0.1814
Onchocerca volvulus 0.0023 0.0393 0.0479
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Brugia malayi AMP-binding enzyme family protein 0.0047 0.129 0.128
Loa Loa (eye worm) carboxylesterase 0.0023 0.0393 0.0382
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0783 0.6071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0783 0.6071
Echinococcus multilocularis hormone sensitive lipase 0.0204 0.7041 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.129 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0393 0.0382
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.129 0.9836
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0204 0.7041 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0048 0.131 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0854 0.0843
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0232 0.1302
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.129 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0204 0.7041 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2898 0.4106
Onchocerca volvulus 0.0014 0.007 0.0074
Onchocerca volvulus 0.0023 0.0393 0.0479
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0585 0.0817
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0285 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0048 0.131 0.1567
Echinococcus granulosus neuroligin 0.0023 0.0393 0.0543
Brugia malayi Carboxylesterase family protein 0.0134 0.4471 0.4465
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0393 0.0543
Brugia malayi Latrophilin receptor protein 2 0.0047 0.1286 0.1276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0624 0.0872
Brugia malayi Carboxylesterase family protein 0.0023 0.0393 0.0382
Loa Loa (eye worm) hypothetical protein 0.0029 0.0624 0.0614
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0048 0.131 0.1848
Loa Loa (eye worm) hypothetical protein 0.0035 0.0854 0.0843
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0854 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0393 0.0543
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.007 0.0546
Loa Loa (eye worm) hypothetical protein 0.0014 0.007 0.0059
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0854 0.6617
Onchocerca volvulus 0.0029 0.0624 0.0769
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0048 0.131 0.13
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.007 0.0546
Entamoeba histolytica hypothetical protein 0.0036 0.0887 0.6582
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.007 0.0546
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.007 0.0546
Schistosoma mansoni ap endonuclease 0.0018 0.0232 0.0314
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0624 0.0872
Onchocerca volvulus 0.0014 0.007 0.0074
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0048 0.131 0.1848
Loa Loa (eye worm) hypothetical protein 0.0025 0.0474 0.0463
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.007 0.0059
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0048 0.131 0.1848
Entamoeba histolytica hypothetical protein 0.0036 0.0887 0.6582
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0624 0.0872
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0854 0.6421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2898 0.4106
Schistosoma mansoni hypothetical protein 0.0036 0.0887 0.1245
Loa Loa (eye worm) carboxylesterase 0.0134 0.4471 0.4465
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.4471 0.4465
Brugia malayi hypothetical protein 0.0036 0.0887 0.0876
Echinococcus granulosus GPCR family 2 0.0047 0.1286 0.1814
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0232 0.1302
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2898 0.289
Loa Loa (eye worm) hypothetical protein 0.0047 0.129 0.128
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0474 0.3256
Loa Loa (eye worm) hypothetical protein 0.0014 0.007 0.0059
Loa Loa (eye worm) hypothetical protein 0.0148 0.5008 0.5002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.4471 0.6344
Loa Loa (eye worm) hypothetical protein 0.0047 0.129 0.128
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0232 0.1302
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0393 0.0407
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.3285 0.3278
Echinococcus multilocularis ubiquitin specific protease 41 0.0048 0.131 0.1848
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0232 0.2061
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.129 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.007 0.0546

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 41.0948 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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