Detailed information for compound 1375408

Basic information

Technical information
  • TDR Targets ID: 1375408
  • Name: 4-(4-oxo2,3-dihydroquinoline-1-carbonyl)-N,N- dipropylbenzenesulfonamide
  • MW: 414.518 | Formula: C22H26N2O4S
  • H donors: 0 H acceptors: 4 LogP: 3.36 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(=O)c2c1cccc2)CCC
  • InChi: 1S/C22H26N2O4S/c1-3-14-23(15-4-2)29(27,28)18-11-9-17(10-12-18)22(26)24-16-13-21(25)19-7-5-6-8-20(19)24/h5-12H,3-4,13-16H2,1-2H3
  • InChiKey: CKKANPMDHKFVSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-oxo2,3-dihydroquinoline-1-carbonyl)-N,N-dipropyl-benzenesulfonamide
  • 4-[oxo-(4-oxo-2,3-dihydroquinolin-1-yl)methyl]-N,N-dipropylbenzenesulfonamide
  • 4-(4-keto2,3-dihydroquinoline-1-carbonyl)-N,N-dipropyl-benzenesulfonamide
  • 4-[(4-oxo-2,3-dihydroquinolin-1-yl)carbonyl]-N,N-dipropyl-benzenesulfonamide
  • A1757/0074628
  • ZINC00834866
  • Oprea1_623749
  • 4-(4-Oxo-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dipropyl-benzenesulfonamide
  • BAS 00792539
  • MLS000108155
  • SMR000104117

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 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
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative 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 musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 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
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Candida albicans ubiquitin-specific protease 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative 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 granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing 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
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Brugia malayi Transient-receptor-potential like protein 0.0074 0.0283 0.0282
Schistosoma mansoni lamin 0.0033 0.0094 0.0085
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0118 0.0117
Loa Loa (eye worm) hypothetical protein 0.0068 0.0253 0.0252
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0009 0.031
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0149 0.0148
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.2221 1 1
Echinococcus granulosus calcium activated potassium channel 0.0012 0.0002 0.0002
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0105 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0158 0.5543
Schistosoma mansoni transient receptor potential channel 0.02 0.0851 0.0843
Schistosoma mansoni bromodomain containing protein 0.0067 0.0248 0.024
Schistosoma mansoni hypothetical protein 0.0016 0.0019 0.0011
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0149 0.0148
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0022 0.0021
Loa Loa (eye worm) hypothetical protein 0.0033 0.0094 0.0093
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.0027
Mycobacterium ulcerans hypothetical protein 0.0047 0.0158 0.5543
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0054 0.0054
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0022 0.0942
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0105 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0233 0.0232
Brugia malayi PHD-finger family protein 0.0031 0.0085 0.0084
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0085 0.0085
Brugia malayi PHD-finger family protein 0.0026 0.0065 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0165 0.0164
Schistosoma mansoni transient receptor potential channel 4 0.02 0.0851 0.0843
Onchocerca volvulus 0.0033 0.0094 0.5701
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0158 0.5543
Loa Loa (eye worm) hypothetical protein 0.02 0.0851 0.085
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0022 0.1373
Echinococcus granulosus lamin dm0 0.0033 0.0094 0.0093
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.031
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0149 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0105 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0149 1
Echinococcus granulosus transient receptor potential ion channel A 0.0193 0.0821 0.082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.0629 0.0628
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0031 0.003
Echinococcus multilocularis muscleblind protein 0.018 0.0763 0.0762
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0022 0.0942
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0085 0.2849
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0165 0.0164
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0009 0.0008
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0096 0.3449
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0469 0.0468
Loa Loa (eye worm) hypothetical protein 0.0075 0.0284 0.0283
Echinococcus granulosus jumonji domain containing protein 0.0043 0.014 0.0139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0096 0.3449
Echinococcus multilocularis transient receptor potential ion channel A 0.0193 0.0821 0.082
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0149 0.0148
Echinococcus granulosus TRP transient receptor potential channel 0.0074 0.0283 0.0282
Echinococcus multilocularis GPCR, family 2 0.0048 0.0163 0.0162
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0163 0.0161
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0158 0.0157
Echinococcus granulosus intermediate filament protein 0.0033 0.0094 0.0093
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0022 0.0489
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0018 0.0017
Brugia malayi Muscleblind-like protein 0.018 0.0763 0.0762
Loa Loa (eye worm) hypothetical protein 0.0014 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0016 0.0018 0.0017
Loa Loa (eye worm) oxidoreductase 0.0014 0.0009 0.0008
Echinococcus multilocularis lamin dm0 0.0033 0.0094 0.0093
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0022 0.0021
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0149 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0009 0.031
Loa Loa (eye worm) hypothetical protein 0.0048 0.0163 0.0161
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0074 0.0283 0.0282
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0022 0.0784
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0278 0.027
Schistosoma mansoni hypothetical protein 0.0048 0.0163 0.0154
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.031
Schistosoma mansoni serine/threonine protein kinase 0.2221 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0163 0.0162
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0022 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0278 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0085 0.0085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0165 0.0156
Schistosoma mansoni intermediate filament proteins 0.0033 0.0094 0.0085
Loa Loa (eye worm) hypothetical protein 0.0047 0.0158 0.0157
Brugia malayi intermediate filament protein 0.0033 0.0094 0.0093
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0158 0.5543
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0009 0.031
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0149 0.5189
Leishmania major hypothetical protein, conserved 0.0016 0.0019 0.04
Echinococcus granulosus zinc finger protein 0.0021 0.004 0.0039
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0163 0.0162
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0158 0.5543
Brugia malayi jmjC domain containing protein 0.0101 0.0402 0.0401
Loa Loa (eye worm) hypothetical protein 0.018 0.0763 0.0762
Echinococcus granulosus short transient receptor potential channel 6 0.0132 0.0545 0.0544
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0018 0.0017
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0028 0.0027
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0149 0.0148
Schistosoma mansoni lamin 0.0033 0.0094 0.0085
Schistosoma mansoni hypothetical protein 0.0103 0.0413 0.0405
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0022 0.0013
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0028 0.0019
Schistosoma mansoni jumonji domain containing protein 0.008 0.0308 0.03
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0022 0.0489
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0158 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0158 0.5543
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0158 1
Brugia malayi MH2 domain containing protein 0.0116 0.0469 0.0468
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0158 0.5682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0104
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0158 0.5543
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.014 0.0139
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0284 0.1233 0.1232
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.014
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0278 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0763 0.0762
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0118 0.0117
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0105 0.356
Schistosoma mansoni hypothetical protein 0.0031 0.0085 0.0077
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0022 0.0021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0104
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0158 0.0157
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0094 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0165 0.0156
Loa Loa (eye worm) hypothetical protein 0.0103 0.0413 0.0412
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0158 0.5543
Loa Loa (eye worm) hypothetical protein 0.0151 0.0629 0.0628
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0028 0.0027
Echinococcus granulosus geminin 0.017 0.0717 0.0717
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0165 0.0164
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0104
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0231 0.0231
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0413 0.0412
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0022 0.0942
Schistosoma mansoni hypothetical protein 0.0048 0.0163 0.0154
Onchocerca volvulus 0.0047 0.0158 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0047 0.0158 0.0157
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0028 0.0019
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0158 0.5682
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0163 0.0162
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0149 0.0148
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0022 0.0021
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0149 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0158 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0165 0.0164
Echinococcus multilocularis musashi 0.0033 0.0094 0.0093
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.031
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Onchocerca volvulus 0.0033 0.0094 0.5701
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0022 0.0489
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0165 0.0164
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0045 0.015 0.0149
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0149 1
Schistosoma mansoni transient receptor potential channel 0.0132 0.0545 0.0536
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0163 0.0162
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0158 0.5543
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0128
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0278 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0165 0.0164
Brugia malayi Bromodomain containing protein 0.0079 0.0304 0.0303
Echinococcus granulosus peregrin 0.0033 0.0097 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0085 0.8005
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0402 0.0401
Onchocerca volvulus Alhambra homolog 0.0031 0.0085 0.514
Echinococcus multilocularis geminin 0.017 0.0717 0.0717
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0022 0.0021
Schistosoma mansoni hypothetical protein 0.0048 0.0163 0.0154
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0158 0.0157
Loa Loa (eye worm) hypothetical protein 0.0031 0.0085 0.0084
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0085 0.0077
Echinococcus granulosus lamin 0.0033 0.0094 0.0093
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0158 1
Echinococcus granulosus GPCR family 2 0.0048 0.0163 0.0162
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0022 0.0942
Echinococcus granulosus transient receptor potential gamma protein 0.02 0.0851 0.085
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0054 0.0045
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0158 0.5543
Echinococcus multilocularis zinc finger protein 0.0021 0.004 0.0039
Schistosoma mansoni transient receptor potential channel 0.0132 0.0545 0.0536
Echinococcus multilocularis short transient receptor potential channel 6 0.0132 0.0545 0.0544
Brugia malayi isocitrate dehydrogenase 0.0017 0.0022 0.0021
Echinococcus granulosus short transient receptor potential channel 6 0.0132 0.0545 0.0544
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Schistosoma mansoni zinc finger protein 0.0021 0.004 0.0031
Loa Loa (eye worm) hypothetical protein 0.0032 0.0091 0.009
Echinococcus multilocularis short transient receptor potential channel 6 0.0132 0.0545 0.0544
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0085 0.2849
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0124 0.0123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0104
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0096 0.3449
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.0629 0.0628
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0158 0.5543
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0054 0.0054
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0009 0.0008
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0009 0.031
Loa Loa (eye worm) hypothetical protein 0.0047 0.0158 0.0157
Trypanosoma brucei ISWI complex protein 0.0016 0.0019 0.0771
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0028 0.0027
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0022 0.1373
Echinococcus multilocularis transient receptor potential gamma protein 0.02 0.0851 0.085
Loa Loa (eye worm) hypothetical protein 0.0053 0.0185 0.0184
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0149 0.9361
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0009 0.031
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0028 0.0027
Echinococcus granulosus MAP kinase activated protein kinase 2 0.2221 1 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.0019 0.0771
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0028 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0278 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0469 0.0468
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0149 1
Echinococcus granulosus muscleblind protein 0.018 0.0763 0.0762
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0149 0.014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0231 0.0231
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.0629 0.0628
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0105 0.3759
Loa Loa (eye worm) hypothetical protein 0.0045 0.0149 0.0148
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0278 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.0019 0.0771
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0124 0.0115
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0278 0.027
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0163 0.0161
Brugia malayi Bromodomain containing protein 0.0033 0.0097 0.0096
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0163 0.0161
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0094 0.0093
Schistosoma mansoni hypothetical protein 0.017 0.0717 0.0709
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0009 0.0008
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0045 0.0044
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0124 0.0115
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0022 0.0021
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0158 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.0085 0.8005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0022 0.0021
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0124 0.0123
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.018 0.0763 0.0762
Loa Loa (eye worm) hypothetical protein 0.0074 0.0283 0.0282
Brugia malayi jmjC domain containing protein 0.0039 0.0124 0.0123
Schistosoma mansoni hypothetical protein 0.017 0.0717 0.0709
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0009 0.031
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0149 0.0148
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0009 0.031
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0094 0.0093
Schistosoma mansoni hypothetical protein 0.0048 0.0163 0.0154
Echinococcus multilocularis lamin 0.0033 0.0094 0.0093
Echinococcus multilocularis peregrin 0.0033 0.0097 0.0096
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4378 0.4378
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0149 0.014
Brugia malayi Bromodomain containing protein 0.004 0.0129 0.0128
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0009 0.0008
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0278 0.0278
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0085 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0165 0.0156
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0149 0.0148
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0402 0.0401
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0115 0.0114
Schistosoma mansoni hypothetical protein 0.0022 0.0045 0.0036
Loa Loa (eye worm) hypothetical protein 0.0125 0.0514 0.0513
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0028 0.0019
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0096 0.3449
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0104
Schistosoma mansoni zinc finger protein 0.0016 0.0019 0.0011
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0278 0.0278
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0149 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0278 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Echinococcus multilocularis calcium activated potassium channel 0.0012 0.0002 0.0002
Brugia malayi follicle stimulating hormone receptor 0.0284 0.1233 0.1232
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.2221 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.031

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 0.7079 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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) 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] 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

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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