Detailed information for compound 603685

Basic information

Technical information
  • TDR Targets ID: 603685
  • Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidi n-1-ylsulfonylbenzamide
  • MW: 460.548 | Formula: C25H24N4O3S
  • H donors: 2 H acceptors: 4 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1ccc(cc1)c1nc2c([nH]1)cccc2
  • InChi: 1S/C25H24N4O3S/c30-25(19-10-14-21(15-11-19)33(31,32)29-16-4-1-5-17-29)26-20-12-8-18(9-13-20)24-27-22-6-2-3-7-23(22)28-24/h2-3,6-15H,1,4-5,16-17H2,(H,26,30)(H,27,28)
  • InChiKey: DPRKSCGJJHXLAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(1-piperidylsulfonyl)benzamide
  • N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidinosulfonyl-benzamide
  • N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonyl-benzamide
  • Oprea1_452057

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
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1084 0.2059
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0025 0.0008
Brugia malayi beta-lactamase 0.0035 0.0957 0.1072
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.476 0.9178
Brugia malayi MH2 domain containing protein 0.0118 0.4487 0.513
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.3097 0.3444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3613 0.6954
Toxoplasma gondii thioredoxin reductase 0.0037 0.1063 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0957 0.1971
Loa Loa (eye worm) hypothetical protein 0.0151 0.5894 0.6757
Schistosoma mansoni hypothetical protein 0.0124 0.476 0.9178
Echinococcus multilocularis GPCR, family 2 0.0048 0.1505 0.2875
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0957 0.1045
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0957 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4772 0.92
Schistosoma mansoni hypothetical protein 0.0048 0.1505 0.287
Loa Loa (eye worm) glutathione reductase 0.0037 0.1063 0.1218
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0025 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0801 0.7478
Plasmodium falciparum thioredoxin reductase 0.0037 0.1063 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.3613 0.4126
Schistosoma mansoni intermediate filament proteins 0.0027 0.0607 0.1128
Onchocerca volvulus 0.0031 0.0801 0.0207
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0957 0.8982
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.4772 0.5471
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0957 0.1045
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.3502 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0801 0.7478
Mycobacterium tuberculosis Conserved protein 0.0035 0.0957 0.1045
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0957 0.0935
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0081 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3613 0.6954
Brugia malayi beta-lactamase family protein 0.0035 0.0957 0.1072
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.3502 0.3897
Onchocerca volvulus 0.0035 0.0957 0.0373
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.5894 0.6748
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0801 0.1511
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1063 1
Schistosoma mansoni lamin 0.0027 0.0607 0.1128
Loa Loa (eye worm) hypothetical protein 0.0031 0.0801 0.0918
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0957 0.1045
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.3097 0.3444
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0801 0.1511
Loa Loa (eye worm) TAR-binding protein 0.0125 0.4772 0.5471
Trichomonas vaginalis esterase, putative 0.0035 0.0957 0.0935
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3613 0.6957
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1063 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.3097 0.3444
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0957 0.8982
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0957 1
Leishmania major hypothetical protein, conserved 0.0035 0.0957 0.8982
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4487 0.5144
Brugia malayi glutathione reductase 0.0037 0.1063 0.1193
Echinococcus multilocularis musashi 0.0027 0.0607 0.1135
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1505 0.2875
Brugia malayi Thioredoxin reductase 0.0037 0.1063 0.1193
Brugia malayi RNA binding protein 0.0125 0.4772 0.5458
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1505 0.1702
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.3097 0.3444
Mycobacterium ulcerans lipase LipD 0.0035 0.0957 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3613 0.6957
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.5184 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0801 0.0892
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0957 0.1097
Mycobacterium tuberculosis Conserved protein 0.0035 0.0957 0.1045
Loa Loa (eye worm) hypothetical protein 0.0026 0.0586 0.0672
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1505 0.1702
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1505 0.3125
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0801 0.1504
Mycobacterium tuberculosis Probable reductase 0.0085 0.3097 0.3444
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.3502 0.3897
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0607 0.0695
Entamoeba histolytica hypothetical protein 0.0038 0.108 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.108 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.108 0.2046
Loa Loa (eye worm) hypothetical protein 0.0027 0.0607 0.0695
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.8722 1
Brugia malayi intermediate filament protein 0.0027 0.0607 0.0669
Echinococcus granulosus intermediate filament protein 0.0027 0.0607 0.1233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.5894 0.6757
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1084 0.2238
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3613 0.7561
Brugia malayi TAR-binding protein 0.0125 0.4772 0.5458
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0957 0.8982
Schistosoma mansoni hypothetical protein 0.0038 0.108 0.2046
Loa Loa (eye worm) hypothetical protein 0.0103 0.3863 0.4428
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0025 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1505 0.3125
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.8947 1
Trypanosoma brucei trypanothione reductase 0.0037 0.1063 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0801 0.1504
Leishmania major trypanothione reductase 0.0037 0.1063 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4772 0.92
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0025 0.5
Echinococcus granulosus tar DNA binding protein 0.0125 0.4772 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0957 0.0935
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0801 0.1504
Mycobacterium ulcerans beta-lactamase 0.0035 0.0957 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0957 0.1097
Echinococcus multilocularis lamin dm0 0.0027 0.0607 0.1135
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0801 0.1642
Echinococcus granulosus GPCR family 2 0.0048 0.1505 0.3125
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0025 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3613 0.7561
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0752 0.1539
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0957 0.1045
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4772 0.92
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4487 0.5144
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.476 0.9976
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3613 0.6954
Plasmodium vivax glutathione reductase, putative 0.0037 0.1063 1
Schistosoma mansoni thyroid hormone receptor 0.0134 0.5184 1
Echinococcus multilocularis tar DNA binding protein 0.0125 0.4772 0.9201
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0957 0.1045
Echinococcus granulosus lamin dm0 0.0027 0.0607 0.1233
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1505 0.2875
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1063 0.1218
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0957 0.1045
Schistosoma mansoni hypothetical protein 0.0048 0.1505 0.287
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0801 0.1504
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0957 0.1813
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4772 0.92
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Toxoplasma gondii ABC1 family protein 0.0035 0.0957 0.8982
Trichomonas vaginalis set domain proteins, putative 0.0248 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0025 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0957 0.1045
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0957 0.0935
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0957 0.1072
Brugia malayi Pre-SET motif family protein 0.0218 0.8722 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1505 0.1726
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Echinococcus multilocularis lamin 0.0027 0.0607 0.1135
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0957 0.0935
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0081 0.0093
Entamoeba histolytica hypothetical protein 0.0038 0.108 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.3613 0.4142
Schistosoma mansoni hypothetical protein 0.0048 0.1505 0.287
Echinococcus granulosus lamin 0.0027 0.0607 0.1233
Onchocerca volvulus 0.0035 0.0957 0.0373
Schistosoma mansoni hypothetical protein 0.0103 0.3863 0.7438
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.5894 0.6748
Treponema pallidum NADH oxidase 0.0013 0.0025 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0957 0.1807
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0024
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.4772 0.5458
Plasmodium falciparum glutathione reductase 0.0037 0.1063 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.3097 0.8411
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0957 0.8982
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.3502 0.3897
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0957 0.1807
Mycobacterium ulcerans hypothetical protein 0.0035 0.0957 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0957 0.1097
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.108 0.223
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.3863 0.4413
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0957 0.1045
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0607 0.0695
Schistosoma mansoni hypothetical protein 0.0048 0.1505 0.287
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.3097 0.3444
Schistosoma mansoni thyroid hormone receptor 0.0134 0.5184 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.4772 0.5471
Brugia malayi hypothetical protein 0.0038 0.108 0.1214
Schistosoma mansoni lamin 0.0027 0.0607 0.1128
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0957 0.0935
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1505 0.1726
Entamoeba histolytica hypothetical protein 0.0038 0.108 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4772 0.92
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0607 0.0669
Onchocerca volvulus 0.0035 0.0957 0.0373
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.108 0.2052
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1063 0.1163
Brugia malayi beta-lactamase family protein 0.0035 0.0957 0.1072

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0.68 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 2 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3.08 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.17 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 6 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 23 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0.71 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 6 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 23 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.13 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.74866 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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