Detailed information for compound 74320

Basic information

Technical information
  • TDR Targets ID: 74320
  • Name: 2,2'-Dithiobis(N-(7-hydroxynaphth-1-yl)benzam ide)
  • MW: 588.695 | Formula: C34H24N2O4S2
  • H donors: 4 H acceptors: 4 LogP: 7.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc2c(c1)c(ccc2)NC(=O)c1ccccc1SSc1ccccc1C(=O)Nc1cccc2c1cc(O)cc2
  • InChi: 1S/C34H24N2O4S2/c37-23-17-15-21-7-5-11-29(27(21)19-23)35-33(39)25-9-1-3-13-31(25)41-42-32-14-4-2-10-26(32)34(40)36-30-12-6-8-22-16-18-24(38)20-28(22)30/h1-20,37-38H,(H,35,39)(H,36,40)
  • InChiKey: YPERVNZZJBFBQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2'-Dithiobis[N-(7-hydroxynaphth-1-yl)benzamide]
  • 98051-80-0
  • AIDS-010966
  • AIDS010966
  • N-(7-hydroxynaphthalen-1-yl)-2-[2-[(7-hydroxynaphthalen-1-yl)carbamoyl]phenyl]disulfanylbenzamide
  • N-(7-hydroxy-1-naphthyl)-2-[2-[(7-hydroxy-1-naphthyl)carbamoyl]phenyl]disulfanyl-benzamide
  • N-(7-hydroxy-1-naphthyl)-2-[2-[[(7-hydroxy-1-naphthyl)amino]-oxomethyl]phenyl]disulfanylbenzamide
  • N-(7-hydroxynaphthalen-1-yl)-2-[2-[(7-hydroxynaphthalen-1-yl)carbamoyl]phenyl]disulfanyl-benzamide

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
Schistosoma mansoni DNA polymerase eta 0.0115 0.0926 0.1496
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0087 0.0636 0.0898
Schistosoma mansoni hypothetical protein 0.0088 0.0648 0.1042
Brugia malayi jmjC domain containing protein 0.0041 0.0159 0.0383
Trichomonas vaginalis DNA polymerase eta, putative 0.0087 0.0636 0.5
Plasmodium vivax kinesin-5 0.0091 0.0684 0.0674
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0084 0.1087
Toxoplasma gondii kinesin motor domain-containing protein 0.0091 0.0684 1
Giardia lamblia PHD finger protein 15 0.0034 0.0084 0.1087
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0084 0.0118
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0088 0.0648 0.0915
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0055 0.03 0.4299
Echinococcus multilocularis peregrin 0.0034 0.0084 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0084 0.012
Loa Loa (eye worm) hypothetical protein 0.0088 0.0648 0.1672
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Schistosoma mansoni terminal deoxycytidyl transferase 0.0087 0.0636 0.1023
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0159 0.0242
Treponema pallidum hypothetical protein 0.0983 1 0.5
Giardia lamblia Kinesin-5 0.0091 0.0684 1
Onchocerca volvulus 0.0375 0.3646 0.975
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0087 0.0636 0.1642
Loa Loa (eye worm) hypothetical protein 0.0027 0.0011 0.0027
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.0891 0.1258
Trypanosoma brucei DNA polymerase eta, putative 0.0115 0.0926 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0282 0.0444
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0983 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0087 0.0636 0.1023
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0355 0.3759
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0223 0.0315
Trypanosoma brucei unspecified product 0.006 0.0355 0.3759
Echinococcus granulosus peregrin 0.0034 0.0084 0.0118
Trypanosoma brucei unspecified product 0.0087 0.0636 0.6836
Schistosoma mansoni hypothetical protein 0.0088 0.0648 0.1042
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.0636 0.0626
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0088 0.0648 0.1649
Loa Loa (eye worm) hypothetical protein 0.0278 0.2632 0.6796
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0084 0.0073
Brugia malayi Calcitonin receptor-like protein seb-1 0.0278 0.2632 0.6787
Brugia malayi PAS domain containing protein 0.0053 0.0282 0.0703
Brugia malayi latrophilin 2 splice variant baaae 0.019 0.1714 0.4409
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0983 1 1
Echinococcus multilocularis dna polymerase eta 0.0115 0.0926 0.1307
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.0891 0.1258
Echinococcus granulosus dna polymerase eta 0.0115 0.0926 0.1307
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.0636 0.6836
Brugia malayi ImpB/MucB/SamB family protein 0.0115 0.0926 0.2369
Brugia malayi Cytochrome P450 family protein 0.0028 0.0026 0.0041
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0159 0.0409
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0138 0.0195
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.0636 0.6836
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0278 0.2632 0.6787
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Trypanosoma cruzi DNA polymerase eta, putative 0.0055 0.03 0.3164
Brugia malayi jmjC domain containing protein 0.0111 0.0891 0.2279
Loa Loa (eye worm) hypothetical protein 0.0178 0.1584 0.409
Trypanosoma cruzi DNA polymerase eta, putative 0.0115 0.0926 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0084 0.0118
Loa Loa (eye worm) kinesin-like protein KLP2 0.0091 0.0684 0.1766
Loa Loa (eye worm) latrophilin receptor protein 2 0.0088 0.0648 0.1672
Schistosoma mansoni hypothetical protein 0.0088 0.0648 0.1042
Leishmania major DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Echinococcus granulosus single minded 2 0.0039 0.0138 0.0195
Brugia malayi PHD-finger family protein 0.0034 0.0084 0.019
Brugia malayi ImpB/MucB/SamB family protein 0.0087 0.0636 0.1619
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Brugia malayi Latrophilin receptor protein 2 0.0088 0.0648 0.1649
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0138 0.0331
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0084 0.1087
Echinococcus granulosus dna polymerase kappa 0.0087 0.0636 0.0898
Brugia malayi hypothetical protein 0.0178 0.1584 0.4073
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0159 0.0242
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Loa Loa (eye worm) hypothetical protein 0.0115 0.0926 0.239
Schistosoma mansoni hypothetical protein 0.0034 0.0084 0.012
Loa Loa (eye worm) hypoxia-induced factor 1 0.0164 0.144 0.3719
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0087 0.0636 0.6836
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0087 0.0636 0.5
Schistosoma mansoni kinesin eg-5 0.0091 0.0684 0.1101
Schistosoma mansoni single-minded 0.0053 0.0282 0.0444
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0088 0.0648 0.0915
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0355 0.3759
Echinococcus multilocularis kinesin family 1 0.0704 0.708 1
Entamoeba histolytica kinesin, putative 0.0091 0.0684 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0462 0.1192
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Echinococcus multilocularis dna polymerase kappa 0.0087 0.0636 0.0898
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0397 0.3873 1
Plasmodium falciparum phd finger protein, putative 0.0034 0.0084 0.0073
Giardia lamblia DINP protein human, muc B family 0.0087 0.0636 0.9287
Schistosoma mansoni jumonji domain containing protein 0.0088 0.0652 0.1049
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0223 0.0315
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0159 0.0224
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0138 0.0128
Echinococcus multilocularis GPCR, family 2 0.0088 0.0648 0.0915
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Leishmania major DNA polymerase eta, putative 0.0055 0.03 0.3164
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Echinococcus granulosus GPCR family 2 0.0088 0.0648 0.0915
Schistosoma mansoni hypothetical protein 0.0612 0.6125 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0087 0.0636 0.0898
Onchocerca volvulus 0.0039 0.0138 0.0149
Plasmodium falciparum kinesin-5 0.0091 0.0684 0.0674
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.0636 0.0626
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0159 0.0224
Schistosoma mansoni hypothetical protein 0.019 0.1714 0.2785
Loa Loa (eye worm) hypothetical protein 0.019 0.1714 0.4425
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0088 0.0648 0.0915
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0084 0.0217
Loa Loa (eye worm) hypothetical protein 0.0034 0.0084 0.0217
Brugia malayi Immunoglobulin I-set domain containing protein 0.0397 0.3873 1
Brugia malayi Bromodomain containing protein 0.0034 0.0084 0.019
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0983 1 1
Leishmania major DNA polymerase eta, putative 0.0115 0.0926 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0636 0.6836
Brugia malayi hypoxia-induced factor 1 0.0164 0.144 0.3701
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0983 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.0636 0.6836
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0026 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0355 0.3759
Trypanosoma brucei unspecified product 0.006 0.0355 0.3759
Schistosoma mansoni hypothetical protein 0.0088 0.0648 0.1042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0278 0.2632 0.6796
Brugia malayi Kinesin motor domain containing protein 0.0091 0.0684 0.1744
Onchocerca volvulus Tyrosine kinase homolog 0.0384 0.3737 1
Echinococcus granulosus kinesin family 1 0.0704 0.708 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0337 0.0871
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0088 0.0648 0.0915

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv isonicotinic acid hydrazideresistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv isonicotinic acid hydrazideresistant strain ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv. ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv streptomycin resistant strain ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv kanamycin resistant strain ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Antibacterial activity against Mycobacterium kansasii ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Antibacterial activity against Mycobacterium intracellulare. ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv. ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv streptomycin resistant strain ChEMBL. 3934384
MIC (functional) = 50 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv kanamycin resistant strain ChEMBL. 3934384

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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