Detailed information for compound 422862

Basic information

Technical information
  • TDR Targets ID: 422862
  • Name: 4-(3-phenylphenyl)-1H-imidazole-5-carboxamide
  • MW: 263.294 | Formula: C16H13N3O
  • H donors: 2 H acceptors: 2 LogP: 2.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1[nH]cnc1c1cccc(c1)c1ccccc1
  • InChi: 1S/C16H13N3O/c17-16(20)15-14(18-10-19-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,17,20)(H,18,19)
  • InChiKey: XCHBCGDXDAWBKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3-phenylphenyl)-3H-imidazole-4-carboxamide
  • 1H-Imidazole-5-carboxamide, 4-[1,1'-biphenyl]-3-yl-
  • AIDS-472913
  • AIDS472913

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
Brugia malayi Carboxylesterase family protein 0.1571 1 1
Plasmodium falciparum plasmepsin VII 0.0018 0.0018 0.0238
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Schistosoma mansoni cathepsin D (A01 family) 0.0018 0.0018 0.0018
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.0199 0.1137
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.006 0.0784
Plasmodium falciparum glutathione reductase 0.0134 0.0763 1
Trypanosoma brucei trypanothione reductase 0.0134 0.0763 1
Plasmodium falciparum plasmepsin II 0.0018 0.0018 0.0238
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0265 0.1606 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0265 0.1606 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Plasmodium falciparum thioredoxin reductase 0.0134 0.0763 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.0199 0.2605
Loa Loa (eye worm) acetylcholinesterase 1 0.1571 1 1
Plasmodium vivax aspartyl protease, putative 0.0018 0.0018 0.0238
Plasmodium falciparum plasmepsin VIII, putative 0.0018 0.0018 0.0238
Brugia malayi hypothetical protein 0.0016 0.0003 0.0003
Echinococcus granulosus carboxylesterase 5A 0.1571 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.006 0.0784
Echinococcus multilocularis para nitrobenzyl esterase 0.0265 0.1606 0.1606
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0018 0.0018 0.0238
Onchocerca volvulus 0.0265 0.1606 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.0199 0.2605
Plasmodium falciparum plasmepsin I 0.0018 0.0018 0.0238
Echinococcus granulosus para nitrobenzyl esterase 0.0265 0.1606 0.1606
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Loa Loa (eye worm) hypothetical protein 0.0018 0.0018 0.0018
Schistosoma mansoni memapsin-2 (A01 family) 0.0459 0.2852 0.2852
Brugia malayi hypothetical protein 0.0025 0.006 0.006
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0119 0.0119
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.0199 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0265 0.1606 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Loa Loa (eye worm) aspartyl protease 6 0.0018 0.0018 0.0018
Echinococcus multilocularis thioredoxin glutathione reductase 0.0134 0.0763 0.0763
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0119 0.0119
Brugia malayi Carboxylesterase family protein 0.0265 0.1606 0.1606
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.0199 0.0199
Onchocerca volvulus 0.0265 0.1606 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0047 0.0199 0.1237
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0134 0.0763 0.4748
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.0199 0.5
Brugia malayi Carboxylesterase family protein 0.0265 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0018 0.0018 0.0018
Echinococcus multilocularis neuroligin 0.0265 0.1606 0.1606
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.0199 0.2605
Loa Loa (eye worm) hypothetical protein 0.0018 0.0018 0.0018
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.0199 0.2605
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.0199 0.2605
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.006 0.0784
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Loa Loa (eye worm) carboxylesterase 0.0265 0.1606 0.1606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.019 0.019
Mycobacterium tuberculosis Probable oxidoreductase 0.0047 0.0199 0.1237
Loa Loa (eye worm) hypothetical protein 0.1571 1 1
Plasmodium falciparum plasmepsin VI 0.0018 0.0018 0.0238
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Onchocerca volvulus 0.0265 0.1606 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.019 0.019
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Brugia malayi MH2 domain containing protein 0.0118 0.0659 0.0659
Brugia malayi hypothetical protein 0.0265 0.1606 0.1606
Echinococcus multilocularis BC026374 protein (S09 family) 0.0265 0.1606 0.1606
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.006 0.0784
Echinococcus granulosus acetylcholinesterase 0.1571 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0047 0.0199 0.5
Brugia malayi Carboxylesterase family protein 0.0265 0.1606 0.1606
Mycobacterium ulcerans carboxylesterase, LipT 0.0265 0.1606 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Plasmodium vivax thioredoxin reductase, putative 0.0134 0.0763 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.0199 0.0199
Schistosoma mansoni acetylcholinesterase 0.0265 0.1606 0.1606
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.0199 0.2605
Plasmodium vivax aspartyl proteinase, putative 0.0018 0.0018 0.0238
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0265 0.1606 1
Toxoplasma gondii aspartyl protease ASP3 0.0018 0.0018 0.0238
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Brugia malayi aspartic protease BmAsp-2, identical 0.0018 0.0018 0.0018
Brugia malayi aspartic protease BmAsp-1, identical 0.0018 0.0018 0.0018
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0265 0.1606 0.1606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.019 0.019
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.0199 0.2605
Brugia malayi Thioredoxin reductase 0.0134 0.0763 0.0763
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.0199 0.2605
Echinococcus granulosus BC026374 protein S09 family 0.0265 0.1606 0.1606
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.006 0.0784
Loa Loa (eye worm) carboxylesterase 0.0265 0.1606 0.1606
Brugia malayi glutathione reductase 0.0134 0.0763 0.0763
Echinococcus granulosus acetylcholinesterase 0.1571 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0265 0.1606 0.1606
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0659 0.0659
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.006 0.0784
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0018 0.0018 0.0018
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0265 0.1606 0.1606
Schistosoma mansoni cathepsin D (A01 family) 0.0018 0.0018 0.0018
Plasmodium vivax aspartyl protease, putative 0.0018 0.0018 0.0238
Loa Loa (eye worm) glutathione reductase 0.0134 0.0763 0.0763
Plasmodium falciparum glutathione reductase 0.0047 0.0199 0.2605
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.0199 0.2605
Plasmodium falciparum thioredoxin reductase 0.0047 0.0199 0.2605
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.0199 0.0199
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.019 0.019
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Plasmodium vivax plasmepsin V, putative 0.0018 0.0018 0.0238
Plasmodium vivax aspartyl protease, putative 0.0018 0.0018 0.0238
Treponema pallidum NADH oxidase 0.0047 0.0199 0.5
Brugia malayi hypothetical protein 0.0018 0.0018 0.0018
Loa Loa (eye worm) thioredoxin reductase 0.0134 0.0763 0.0763
Onchocerca volvulus 0.0265 0.1606 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0018 0.0018 0.0018
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.0199 0.2605
Brugia malayi Carboxylesterase family protein 0.0265 0.1606 0.1606
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0018 0.0018 0.0018
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0018 0.0018 0.0018
Loa Loa (eye worm) carboxylesterase 0.1571 1 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0018 0.0018 0.0238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.019 0.019
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.0199 0.0199
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0265 0.1606 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0802 0.5056 0.5056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.019 0.019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0047 0.0199 0.1237
Loa Loa (eye worm) hypothetical protein 0.0265 0.1606 0.1606
Echinococcus granulosus neuroligin 0.0265 0.1606 0.1606
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1571 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.006 0.0784
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.0199 0.1137
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0018 0.0018 0.0018
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.0763 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.006 0.0784
Plasmodium falciparum plasmepsin V 0.0018 0.0018 0.0238
Plasmodium vivax glutathione reductase, putative 0.0134 0.0763 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0199 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0265 0.1606 0.1606
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.0199 0.2605
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.019 0.019
Echinococcus multilocularis acetylcholinesterase 0.1571 1 1
Toxoplasma gondii aspartyl protease ASP1 0.0018 0.0018 0.0238
Loa Loa (eye worm) hypothetical protein 0.0025 0.006 0.006
Brugia malayi hypothetical protein 0.0018 0.0018 0.0018
Leishmania major trypanothione reductase 0.0134 0.0763 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.019 0.019
Echinococcus multilocularis acetylcholinesterase 0.1571 1 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.0199 0.1237
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.0199 0.2605
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0199 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1571 1 1
Toxoplasma gondii thioredoxin reductase 0.0134 0.0763 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0199 0.2605
Plasmodium falciparum plasmepsin IV 0.0018 0.0018 0.0238
Plasmodium vivax aspartyl proteinase, putative 0.0018 0.0018 0.0238
Schistosoma mansoni neuroligin 3 (S09 family) 0.0265 0.1606 0.1606
Schistosoma mansoni gliotactin 0.0265 0.1606 0.1606
Brugia malayi Pepsin A precursor 0.0018 0.0018 0.0018
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0199 0.2605
Plasmodium falciparum plasmepsin X 0.0018 0.0018 0.0238
Plasmodium vivax plasmepsin IV, putative 0.0018 0.0018 0.0238
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.0199 0.2605
Toxoplasma gondii aspartyl protease 0.0018 0.0018 0.0238
Plasmodium falciparum plasmepsin III 0.0018 0.0018 0.0238
Echinococcus granulosus thioredoxin glutathione reductase 0.0134 0.0763 0.0763
Brugia malayi Eukaryotic aspartyl protease family protein 0.0018 0.0018 0.0018
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0265 0.1606 0.1606
Plasmodium falciparum plasmepsin IX 0.0018 0.0018 0.0238
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.0199 0.2605
Loa Loa (eye worm) hypothetical protein 0.1571 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0265 0.1606 0.1606
Onchocerca volvulus 0.0265 0.1606 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) 0 Cytotoxicity against Jurkat cells by XTT assay ChEMBL. 17458947
IC50 (binding) 0 Inhibition of RNase H activity of HIV1 reverse transcriptase ChEMBL. 17458947
IC50 (binding) > 312 uM Inhibition of DNA polymerase activity of HIV1 reverse transcriptase ChEMBL. 17458947
IC50 (binding) > 312 uM Inhibition of DNA polymerase activity of HIV1 reverse transcriptase ChEMBL. 17458947

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.
 
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

1 literature reference was collected for this gene.

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