Detailed information for compound 650595

Basic information

Technical information
  • TDR Targets ID: 650595
  • Name: N-(3,4-dichlorophenyl)-2-[(6-methyl-1H-benzim idazol-2-yl)sulfanyl]acetamide
  • MW: 366.265 | Formula: C16H13Cl2N3OS
  • H donors: 2 H acceptors: 2 LogP: 4.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2c([nH]1)ccc(c2)C
  • InChi: 1S/C16H13Cl2N3OS/c1-9-2-5-13-14(6-9)21-16(20-13)23-8-15(22)19-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
  • InChiKey: XJSMFZDCPUZHSP-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3,4-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
  • N-(3,4-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide
  • Oprea1_796918
  • ChemDiv1_006578

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
Leishmania major hypothetical protein, conserved 0.0025 0.0114 0.0945
Echinococcus granulosus regulator of G protein signaling 3 0.0064 0.0628 0.085
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.1352 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0297 0.0292
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0043 0.0046
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.0329
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0648 0.0787
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.1196 0.1399
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0114 0.0945
Brugia malayi hypothetical protein 0.0039 0.0297 0.0364
Plasmodium falciparum thioredoxin reductase 0.0047 0.0407 1
Echinococcus multilocularis Regulator of G protein signaling 20 0.0064 0.0628 0.0623
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0407 0.3491
Echinococcus multilocularis axis inhibition protein axin 0.0064 0.0628 0.0623
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.1352 0.1583
Echinococcus multilocularis expressed protein 0.0064 0.0628 0.0623
Entamoeba histolytica hypothetical protein 0.0064 0.0628 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.1059 0.1295
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0005 0.0007
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0064 0.0628 0.0763
Echinococcus multilocularis beta adrenergic receptor kinase 0.0066 0.0648 0.0643
Echinococcus multilocularis regulator of G protein signaling 0.0064 0.0628 0.0623
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0114 0.0945
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1059 0.1054
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0114 0.0945
Brugia malayi PXA domain containing protein 0.0064 0.0628 0.0769
Leishmania major hypothetical protein, conserved 0.0105 0.1157 1
Trichomonas vaginalis D-aminoacylase, putative 0.0105 0.1157 1
Trypanosoma brucei trypanothione reductase 0.0047 0.0407 0.3491
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.1196 0.1982
Leishmania major DNA polymerase eta, putative 0.0019 0.0043 0.0329
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0043 0.0038
Plasmodium falciparum glutathione reductase 0.0047 0.0407 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0064 0.0628 0.0769
Schistosoma mansoni regulator of G protein signaling 0.0064 0.0628 0.0763
Trichomonas vaginalis penicillin-binding protein, putative 0.0105 0.1157 1
Brugia malayi follicle stimulating hormone receptor 0.0224 0.2697 0.33
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0064 0.0628 0.085
Loa Loa (eye worm) glutathione reductase 0.0047 0.0407 0.0448
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Schistosoma mansoni axis inhibition protein axin 0.0064 0.0628 0.0763
Mycobacterium tuberculosis Probable lipase LipD 0.0105 0.1157 0.1354
Mycobacterium ulcerans lipase LipD 0.0105 0.1157 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0297 0.0398
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0105 0.1157 0.1354
Echinococcus granulosus axis inhibition protein axin 0.0064 0.0628 0.085
Echinococcus granulosus regulator of G protein signaling 3 0.0064 0.0628 0.085
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0043 0.0329
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0105 0.1157 0.1354
Loa Loa (eye worm) PXA domain-containing protein 0.0064 0.0628 0.072
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0043 0.0329
Trichomonas vaginalis esterase, putative 0.0105 0.1157 1
Brugia malayi beta-lactamase family protein 0.0105 0.1157 0.1416
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0568 0.0689
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0581 0.7336 0.8977
Schistosoma mansoni regulator of G protein signaling 0.0064 0.0628 0.0763
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0568 0.0689
Echinococcus multilocularis regulator of G protein signaling 3 0.0064 0.0628 0.0623
Mycobacterium tuberculosis Conserved protein 0.0105 0.1157 0.1354
Entamoeba histolytica hypothetical protein 0.0039 0.0297 0.4343
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0005 0.5
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0581 0.7336 0.7335
Echinococcus multilocularis regulator of G protein signaling 7 0.0064 0.0628 0.0623
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0005 0.5
Mycobacterium tuberculosis Probable reductase 0.0108 0.1196 0.1399
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0105 0.1157 0.1416
Trypanosoma cruzi hypothetical protein, conserved 0.0105 0.1157 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0568 0.4885
Mycobacterium tuberculosis Conserved protein 0.0105 0.1157 0.1354
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0407 0.0473
Entamoeba histolytica hypothetical protein 0.0039 0.0297 0.4343
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.0329
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0064 0.0628 0.072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.2697 0.3265
Loa Loa (eye worm) hypothetical protein 0.0025 0.0114 0.0087
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0581 0.7336 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0064 0.0628 0.0623
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0645 0.8172 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0407 0.3491
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1059 0.1054
Mycobacterium ulcerans beta-lactamase 0.0105 0.1157 1
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0648 0.0787
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0043 0.0053
Plasmodium vivax glutathione reductase, putative 0.0047 0.0407 0.3491
Entamoeba histolytica hypothetical protein 0.0064 0.0628 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0105 0.1157 0.1354
Trypanosoma brucei unspecified product 0.0019 0.0043 0.0329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1059 0.129
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0568 0.4885
Schistosoma mansoni regulator of G protein signaling 0.0064 0.0628 0.0763
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0043 0.0045
Mycobacterium tuberculosis Probable hydrolase 0.0105 0.1157 0.1354
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0005 0.5
Leishmania major DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.1196 0.1399
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0105 0.1157 0.137
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1059 0.129
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0581 0.7336 0.8972
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0043 0.0053
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0105 0.1157 0.141
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0568 0.0563
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0064 0.0628 0.5408
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Echinococcus granulosus beta-adrenergic receptor kinase 0.0066 0.0648 0.0877
Toxoplasma gondii ABC1 family protein 0.0105 0.1157 1
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0043 0.0329
Brugia malayi regulator of G-protein signaling rgs-7 0.0064 0.0628 0.0769
Brugia malayi PXA domain containing protein 0.0064 0.0628 0.0769
Giardia lamblia DINP protein human, muc B family 0.0019 0.0043 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0114 0.2706
Trichomonas vaginalis penicillin-binding protein, putative 0.0105 0.1157 1
Echinococcus granulosus dna polymerase eta 0.0019 0.0043 0.0052
Mycobacterium tuberculosis Probable lipase LipE 0.0105 0.1157 0.1354
Brugia malayi Regulator of G protein signaling domain containing protein 0.0064 0.0628 0.0769
Trichomonas vaginalis D-aminoacylase, putative 0.0105 0.1157 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0105 0.1157 1
Mycobacterium ulcerans hypothetical protein 0.0105 0.1157 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0043 0.0052
Echinococcus multilocularis beta LACTamase domain containing family member 0.0105 0.1157 0.1152
Echinococcus granulosus expressed protein 0.0064 0.0628 0.085
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0043 0.0038
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0064 0.0628 0.0763
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1059 0.1437
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Trypanosoma cruzi hypothetical protein, conserved 0.0105 0.1157 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0043 0.0329
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.1059 0.1249
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Mycobacterium tuberculosis Conserved protein 0.0105 0.1157 0.1354
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Leishmania major trypanothione reductase 0.0047 0.0407 0.3491
Toxoplasma gondii thioredoxin reductase 0.0047 0.0407 0.3491
Schistosoma mansoni DNA polymerase eta 0.0019 0.0043 0.0046
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Brugia malayi glutathione reductase 0.0047 0.0407 0.0499
Entamoeba histolytica hypothetical protein 0.0039 0.0297 0.4343
Loa Loa (eye worm) RGS-3 protein 0.0064 0.0628 0.072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.1196 0.1399
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Echinococcus multilocularis axis inhibition protein axin 0.0064 0.0628 0.0623
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0043 0.0329
Onchocerca volvulus 0.0105 0.1157 0.5
Schistosoma mansoni regulator of G protein signaling 0.0064 0.0628 0.0763
Onchocerca volvulus 0.0105 0.1157 0.5
Echinococcus multilocularis dna polymerase eta 0.0019 0.0043 0.0038
Schistosoma mansoni hypothetical protein 0.0039 0.0297 0.0357
Brugia malayi hypothetical protein 0.0064 0.0628 0.0769
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0064 0.0628 0.0623
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Brugia malayi hypothetical protein 0.0025 0.0114 0.014
Brugia malayi beta-lactamase family protein 0.0105 0.1157 0.1416
Echinococcus granulosus regulator of G protein signaling 7 0.0064 0.0628 0.085
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.1352 0.1583
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1059 0.1437
Brugia malayi beta-lactamase 0.0105 0.1157 0.1416
Plasmodium vivax hypothetical protein, conserved 0.0105 0.1157 1
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1059 0.129
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0568 0.0661
Echinococcus granulosus Regulator of G protein signaling 20 0.0064 0.0628 0.085
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0672 0.8511 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0043 0.0045
Treponema pallidum NADH oxidase 0.0016 0.0005 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0043 0.0052
Schistosoma mansoni serine/threonine protein kinase 0.0645 0.8172 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0043 0.0329
Trichomonas vaginalis D-aminoacylase, putative 0.0105 0.1157 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.1352 0.1583
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0114 0.0945
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0043 0.0329
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0297 0.0357
Brugia malayi regulator of G-protein signaling egl-10 0.0064 0.0628 0.0769
Schistosoma mansoni axis inhibition protein axin 0.0064 0.0628 0.0763
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0114 0.0945
Echinococcus granulosus beta LACTamase domain containing family member 0.0105 0.1157 0.1571
Mycobacterium tuberculosis Probable esterase LipL 0.0105 0.1157 0.1354
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0568 0.4885
Loa Loa (eye worm) hypothetical protein 0.0064 0.0628 0.072
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.137
Schistosoma mansoni regulator of G protein signaling 0.0064 0.0628 0.0763
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0568 0.0767
Brugia malayi Thioredoxin reductase 0.0047 0.0407 0.0499
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.1196 0.1399
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0628 0.5408
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0064 0.0628 0.0763
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0645 0.8172 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0581 0.7336 0.8972
Schistosoma mansoni z-protein (S1r protein) 0.0064 0.0628 0.0763
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0043 0.0046
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0407 0.0448
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0568 0.4885
Echinococcus granulosus regulator of G protein signaling 7 0.0064 0.0628 0.085
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0568 0.4885
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.1196 0.1399
Brugia malayi Regulator of G protein signaling domain containing protein 0.0064 0.0628 0.0769
Onchocerca volvulus 0.0105 0.1157 0.5
Echinococcus granulosus axis inhibition protein axin 0.0064 0.0628 0.085
Brugia malayi hypothetical protein 0.0064 0.0628 0.0769
Trypanosoma brucei hypothetical protein, conserved 0.0105 0.1157 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0114 0.2706
Entamoeba histolytica hypothetical protein 0.0039 0.0297 0.4343
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0407 0.0402
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0105 0.1157 0.141
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0407 0.0548
Loa Loa (eye worm) beta-lactamase 0.0105 0.1157 0.137
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0329
Entamoeba histolytica hypothetical protein 0.0064 0.0628 1
Mycobacterium ulcerans esterase/lipase LipP 0.0105 0.1157 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0066 0.0648 0.0744
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.0329
Echinococcus multilocularis regulator of G protein signaling 3 0.0064 0.0628 0.0623

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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