Detailed information for compound 1145779

Basic information

Technical information
  • TDR Targets ID: 1145779
  • Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[4-(2-sul famoylphenyl)phenyl]pyrazole-3-carboxamide
  • MW: 516.615 | Formula: C27H28N6O3S
  • H donors: 3 H acceptors: 4 LogP: 3.95 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCc1nn(c(c1)C(=O)Nc1ccc(cc1)c1ccccc1S(=O)(=O)N)c1cccc(c1)C(=N)N
  • InChi: 1S/C27H28N6O3S/c1-2-3-8-21-17-24(33(32-21)22-9-6-7-19(16-22)26(28)29)27(34)31-20-14-12-18(13-15-20)23-10-4-5-11-25(23)37(30,35)36/h4-7,9-17H,2-3,8H2,1H3,(H3,28,29)(H,31,34)(H2,30,35,36)
  • InChiKey: BYYVENMYQTVJGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-butyl-2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide
  • 2-(3-amidinophenyl)-5-butyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

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
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Loa Loa (eye worm) hypothetical protein 0.0038 0.0407 0.0408
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0017 0.0089 0.0089
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.046 0.4236
Loa Loa (eye worm) hypothetical protein 0.0017 0.0089 0.0089
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0119 0.1625 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0267 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0177 0.1625
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0177 0.0301
Loa Loa (eye worm) solute carrier family 8 0.0677 0.9996 1
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0089 0.0545
Echinococcus granulosus neuropeptide receptor A26 0.0454 0.6646 0.6646
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0191 0.2693 0.8908
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0177 0.0301
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0177 0.1625
Echinococcus multilocularis muscleblind protein 1 0.0156 0.2166 0.2166
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0267 0.1641
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0267 0.086
Schistosoma mansoni chromobox protein 0.0068 0.0859 0.0859
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0177 0.1625
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0859 0.5284
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.1086 0.3412
Echinococcus granulosus chromobox protein 1 0.0068 0.0859 0.0859
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0191 0.2693 0.8908
Schistosoma mansoni hypothetical protein 0.0166 0.2329 0.2329
Toxoplasma gondii thioredoxin reductase 0.0084 0.1086 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0151 0.0388
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.046 0.4236
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0119 0.1625 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0267 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0267 0.0267
Echinococcus granulosus chromobox protein 1 0.0068 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0156 0.2166 0.2167
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0521 0.3206
Echinococcus granulosus muscleblind protein 0.0156 0.2166 0.2166
Entamoeba histolytica hypothetical protein 0.0023 0.0177 0.1442
Echinococcus multilocularis microtubule associated protein 2 0.0678 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1968 0.1968
Loa Loa (eye worm) glutathione reductase 0.0084 0.1086 0.1086
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0267 0.086
Schistosoma mansoni sodium/calcium exchanger 0.0677 0.9996 0.9996
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.1086 0.1086
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0239 0.1473
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0212 0.3012 1
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0017 0.0089 0.0089
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0177 0.4943
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0089 0.0545
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Loa Loa (eye worm) acetyltransferase 0.0142 0.1968 0.1968
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1057 0.2712
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1968 0.1968
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0451 0.2776
Brugia malayi chromobox protein homolog 3 0.0038 0.0407 0.1045
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1057 0.1057
Echinococcus multilocularis chromobox protein 1 0.0068 0.0859 0.0859
Echinococcus multilocularis muscleblind protein 0.0156 0.2166 0.2166
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0267 0.086
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.046 0.2831
Brugia malayi glutathione reductase 0.0084 0.1086 0.2786
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0212 0.3012 1
Plasmodium falciparum thioredoxin reductase 0.0084 0.1086 1
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.1086 0.8561
Loa Loa (eye worm) hypothetical protein 0.0082 0.1057 0.1057
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1224 0.1224
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0267 0.0267
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1224 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0212 0.3012 1
Trypanosoma brucei trypanothione reductase 0.0084 0.1086 0.8685
Brugia malayi Heterochromatin protein 1 0.0068 0.0859 0.2203
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1057 0.1057
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0191 0.2693 0.8908
Schistosoma mansoni hypothetical protein 0.0017 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0156 0.2166 0.2167
Brugia malayi Thioredoxin reductase 0.0084 0.1086 0.2786
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0177 0.1625
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0451 0.2776
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0017 0.0089 0.0227
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.046 0.2831
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.1086 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0407 0.2508
Plasmodium vivax cation/H+ antiporter, putative 0.0017 0.0089 0.0815
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0267 1
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0267 0.1641
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0017 0.0089 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0089 0.0545
Brugia malayi Muscleblind-like protein 0.0156 0.2166 0.5556
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0017 0.0089 0.0724
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1224 1
Echinococcus granulosus neuropeptide s receptor 0.0454 0.6646 0.6646
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0267 0.0267
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0017 0.0089 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0407 0.2508
Schistosoma mansoni kinase 0.0047 0.0539 0.0539
Onchocerca volvulus 0.003 0.0283 0.2313
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0408 0.3754
Plasmodium vivax glutathione reductase, putative 0.0084 0.1086 1
Toxoplasma gondii manganese resistance 1 protein, putative 0.0017 0.0089 0.0815
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0859 0.0859
Schistosoma mansoni na/ca exchanger 0.0017 0.0089 0.0089
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0267 0.086
Echinococcus multilocularis neuropeptide s receptor 0.0454 0.6646 0.6646
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0267 0.086
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1224 0.1224
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0267 0.2454
Echinococcus granulosus geminin 0.0166 0.2329 0.2329
Mycobacterium tuberculosis Probable dehydrogenase 0.0191 0.2693 0.8908
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0017 0.0089 0.0089
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0267 0.086
Loa Loa (eye worm) hypothetical protein 0.0017 0.0089 0.0089
Plasmodium falciparum glutathione reductase 0.0084 0.1086 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.3898 0.3899
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0408 0.1474
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1968 0.5048
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0017 0.0089 0.0089
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.1094 0.1094
Echinococcus multilocularis neuropeptide receptor A26 0.0454 0.6646 0.6646
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0191 0.2693 0.8908
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.046 0.4236
Plasmodium falciparum cation/H+ antiporter 0.0017 0.0089 0.0815
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0267 0.0684
Brugia malayi Sodium/calcium exchanger protein 0.0271 0.3898 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0267 1
Giardia lamblia Kinase, PLK 0.0093 0.1224 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1224 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0151 0.0388
Leishmania major trypanothione reductase 0.0084 0.1086 0.8685
Schistosoma mansoni hypothetical protein 0.0166 0.2329 0.2329
Echinococcus multilocularis geminin 0.0166 0.2329 0.2329
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0267 0.0609
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0408 0.3331
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1057 0.1057
Onchocerca volvulus 0.0082 0.1057 0.8637
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0212 0.3012 1
Plasmodium falciparum thioredoxin reductase 0.0029 0.0267 0.2454
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0191 0.2693 0.8908
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0859 0.5284
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1908 0.1908
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0521 0.3206
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1224 0.1224
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0267 0.086
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0239 0.1473
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1224 1
Plasmodium falciparum glutathione reductase 0.0029 0.0267 0.2454
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0267 0.2454
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0407 0.3329
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1224 0.314
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0017 0.0089 0.0089
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0267 0.2454
Treponema pallidum NADH oxidase 0.0029 0.0267 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0267 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.1094 0.1094
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0267 0.2454
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0267 0.086
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0017 0.0089 0.0227
Trypanosoma brucei polo-like protein kinase 0.0093 0.1224 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0267 0.2454
Loa Loa (eye worm) hypothetical protein 0.003 0.0283 0.0283
Schistosoma mansoni chromobox protein 0.0068 0.0859 0.0859
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0451 0.3686
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0267 0.2454
Echinococcus multilocularis sodium calcium exchanger 0.0677 0.9996 0.9996
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1224 0.7532
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1224 0.1224
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.046 0.046
Echinococcus granulosus sodium calcium exchanger 0.0677 0.9996 0.9996
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0017 0.0089 0.0724
Schistosoma mansoni microtubule-associated protein tau 0.0678 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1224 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0267 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0089 0.0089
Echinococcus multilocularis chromobox protein 1 0.0068 0.0859 0.0859
Mycobacterium tuberculosis Probable reductase 0.0191 0.2693 0.8908

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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