Detailed information for compound 611662

Basic information

Technical information
  • TDR Targets ID: 611662
  • Name: 3-(benzoylamino)-N-(4-chlorophenyl)-1-benzofu ran-2-carboxamide
  • MW: 390.819 | Formula: C22H15ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 5.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1ccccc1)cccc2
  • InChi: 1S/C22H15ClN2O3/c23-15-10-12-16(13-11-15)24-22(27)20-19(17-8-4-5-9-18(17)28-20)25-21(26)14-6-2-1-3-7-14/h1-13H,(H,24,27)(H,25,26)
  • InChiKey: PZIZCKLMLSDARY-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(benzoylamino)-N-(4-chlorophenyl)benzofuran-2-carboxamide
  • N-(4-chlorophenyl)-3-[(oxo-phenylmethyl)amino]-2-benzofurancarboxamide
  • N-(4-chlorophenyl)-3-(phenylcarbonylamino)-1-benzofuran-2-carboxamide
  • ZINC04267805

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.1112 0.42
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.2321 0.2187
Plasmodium falciparum glutathione reductase 0.005 0.1615 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.1112 0.1322
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.4855 0.4845
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0296 0.009
Brugia malayi beta-lactamase family protein 0.0038 0.1112 0.1074
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.4318 0.874
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0594 0.1715
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0345 0.0616
Onchocerca volvulus Huntingtin homolog 0.0126 0.4822 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0237 0.0155
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0594 1
Schistosoma mansoni ap endonuclease 0.002 0.0345 0.0195
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.1615 0.2082
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0237 0.0155
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0594 0.0554
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.2274 0.3077
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0345 0.0927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3563 0.504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3563 0.5023
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0237 0.0103
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0345 1
Mycobacterium tuberculosis Probable reductase 0.0114 0.4318 0.4282
Mycobacterium ulcerans hypothetical protein 0.0038 0.1112 0.42
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0319 0.0395
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0551 0.0475
Toxoplasma gondii thioredoxin reductase 0.005 0.1615 0.6614
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.1172 0.1412
Echinococcus multilocularis zinc finger protein 0.0022 0.0413 0.0267
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0594 0.0375
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0023
Loa Loa (eye worm) hypothetical protein 0.0126 0.4822 0.4664
Toxoplasma gondii ABC1 family protein 0.0038 0.1112 0.42
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Trypanosoma brucei trypanothione reductase 0.005 0.1615 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.977 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0345 0.0927
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0237 0.0155
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.1615 0.1446
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.1112 0.0918
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0345 0.0927
Loa Loa (eye worm) glutathione reductase 0.005 0.1615 0.1359
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.4318 0.4282
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.4855 0.4845
Trichomonas vaginalis esterase, putative 0.0038 0.1112 1
Brugia malayi beta-lactamase 0.0038 0.1112 0.1074
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0345 0.1234
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.1615 0.2082
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0296 0.0122
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0237 0.0103
Plasmodium falciparum thioredoxin reductase 0.005 0.1615 1
Mycobacterium ulcerans lipase LipD 0.0038 0.1112 0.42
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.2321 0.317
Loa Loa (eye worm) hypothetical protein 0.0026 0.0594 0.0307
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0551 0.0506
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.2321 0.317
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1112 0.135
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0345 1
Leishmania major hypothetical protein, conserved 0.0038 0.1112 0.4259
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1112 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0319 0.0597
Loa Loa (eye worm) hypothetical protein 0.0045 0.1394 0.1132
Brugia malayi beta-lactamase family protein 0.0038 0.1112 0.1074
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0023
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0594 0.1715
Onchocerca volvulus 0.0038 0.1112 0.2306
Mycobacterium tuberculosis Conserved protein 0.0038 0.1112 0.0918
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0594 0.1801
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0462 0.0171
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0319 0.0597
Schistosoma mansoni hypothetical protein 0.0023 0.0462 0.0372
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0274 0.004
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0594 0.1801
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0345 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0345 0.0163
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3563 0.5023
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.1112 0.1322
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.4855 1
Plasmodium vivax glutathione reductase, putative 0.005 0.1615 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0237 0.0155
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1112 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.4855 0.4845
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.2274 0.3077
Schistosoma mansoni hypothetical protein 0.0175 0.6859 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.2321 0.3148
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.1172 0.1412
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.1112 0.0841
Onchocerca volvulus 0.0038 0.1112 0.2306
Loa Loa (eye worm) beta-lactamase 0.0038 0.1112 0.0841
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.2321 1
Brugia malayi Bromodomain containing protein 0.0042 0.1281 0.1244
Mycobacterium leprae conserved hypothetical protein 0.0038 0.1112 0.1215
Mycobacterium leprae Probable lipase LipE 0.0038 0.1112 0.1215
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1112 1
Leishmania major trypanothione reductase 0.005 0.1615 0.6649
Mycobacterium tuberculosis Conserved protein 0.0038 0.1112 0.0918
Loa Loa (eye worm) hypothetical protein 0.0026 0.0594 0.0307
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0296 0.009
Echinococcus granulosus geminin 0.0175 0.6859 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0023
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0345 0.0784
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0296 0.009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.2321 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0274 0.004
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.4318 0.4282
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0325 0.0029
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0296 0.009
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0319 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0345 0.0113
Loa Loa (eye worm) hypothetical protein 0.0047 0.1483 0.1223
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.1112 0.0918
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.1615 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0594 0.0307
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0594 0.1715
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0594 0.1715
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0594 0.1715
Echinococcus granulosus zinc finger protein 0.0022 0.0413 0.0267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.3563 0.3535
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.1112 0.0918
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0237 0.0155
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.2321 0.3148
Schistosoma mansoni hypothetical protein 0.0175 0.6859 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.4318 0.4282
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.2321 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0594 0.1715
Loa Loa (eye worm) hypothetical protein 0.0078 0.2785 0.2565
Onchocerca volvulus Huntingtin homolog 0.0126 0.4822 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0345 0.0784
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.1112 0.42
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0274 0.004
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0345 0.0518
Toxoplasma gondii exonuclease III APE 0.002 0.0345 0.0518
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0237 0.0033
Brugia malayi Bromodomain containing protein 0.0083 0.2983 0.2953
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1112 0.6349
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.1112 0.0918
Mycobacterium ulcerans beta-lactamase 0.0038 0.1112 0.42
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0345 0.0303
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0274 0.004
Brugia malayi hypothetical protein 0.0126 0.4822 0.48
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0345 0.005
Brugia malayi Thioredoxin reductase 0.005 0.1615 0.158
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0237 0.0155
Brugia malayi glutathione reductase 0.005 0.1615 0.158
Echinococcus multilocularis geminin 0.0175 0.6859 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1112 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0237 0.0195
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0551 0.0475
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3563 0.504
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.3563 0.3366
Schistosoma mansoni ap endonuclease 0.002 0.0345 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3563 0.5023
Loa Loa (eye worm) hypothetical protein 0.0126 0.4822 0.4664
Mycobacterium tuberculosis Conserved protein 0.0038 0.1112 0.0918
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0345 0.0163
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0103
Onchocerca volvulus 0.0038 0.1112 0.2306
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0237 0.0155
Brugia malayi PHD-finger family protein 0.0027 0.0661 0.0621
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0594 0.1801
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.2321 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.4318 0.4282
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0594 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0594 0.1715
Plasmodium vivax thioredoxin reductase, putative 0.005 0.1615 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.1112 0.0918
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0296 0.0122
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1112 0.6406
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0594 0.0554
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0345 0.1234
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0594 0.0554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3563 0.5023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.2321 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0023
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0594 0.1715
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.1112 0.1074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.4318 0.4282
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0594 0.0375
Onchocerca volvulus 0.0026 0.0594 0.1232
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0594 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.1615 0.1359
Loa Loa (eye worm) hypothetical protein 0.0038 0.1112 0.0841
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0155
Loa Loa (eye worm) hypothetical protein 0.0042 0.1285 0.1019
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1112 0.6406
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0319 0.0086
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.1112 0.0918
Schistosoma mansoni zinc finger protein 0.0022 0.0413 0.0299
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0237 0.0103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1112 0.135
Schistosoma mansoni bromodomain containing protein 0.007 0.244 0.3349
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0023
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.1112 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1112 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3563 0.504
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0296 0.0122
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.1112 0.6406
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0296 0.0122

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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