Detailed information for compound 147566

Basic information

Technical information
  • TDR Targets ID: 147566
  • Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl amino]-N-[1-oxo-1-[(2-sulfanylidene-3H-1,3,4- thiadiazol-5-yl)amino]propan-2-yl]-3-phenylpr opanamide
  • MW: 584.733 | Formula: C26H28N6O4S3
  • H donors: 3 H acceptors: 6 LogP: 4.16 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccccc1)NC(C(=O)Nc1nnc(s1)S)C
  • InChi: 1S/C26H28N6O4S3/c1-16(23(33)28-25-29-30-26(37)38-25)27-24(34)20(15-17-9-5-4-6-10-17)31-39(35,36)22-14-8-11-18-19(22)12-7-13-21(18)32(2)3/h4-14,16,20,31H,15H2,1-3H3,(H,27,34)(H,30,37)(H,28,29,33)
  • InChiKey: QJVFJOYLFWWFDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-N-[1-methyl-2-oxo-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]ethyl]-3-phenyl-propanamide
  • 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-N-[1-methyl-2-oxo-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]ethyl]-3-phenylpropanamide
  • 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[1-oxo-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propan-2-yl]-3-phenyl-propanamide
  • N-[2-keto-1-methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]ethyl]-2-(naphthionylamino)-3-phenyl-propionamide

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
Onchocerca volvulus 0.0049 0.0266 0.1245
Brugia malayi TAR-binding protein 0.0518 0.4757 0.4757
Giardia lamblia Hypothetical protein 0.0021 0 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0055 0.0323 0.0323
Trypanosoma cruzi PAB1-binding protein , putative 0.0129 0.1033 1
Plasmodium falciparum plasmepsin VI 0.0056 0.0336 0.3256
Echinococcus granulosus smad 0.0033 0.0111 0.0111
Brugia malayi RNA recognition motif domain containing protein 0.0518 0.4757 0.4757
Echinococcus multilocularis integrin alpha ps 0.0044 0.0224 0.0224
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0046 0.0237 0.0237
Loa Loa (eye worm) MH2 domain-containing protein 0.0478 0.4374 0.4374
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0046 0.0237 0.7047
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0046 0.0237 0.0237
Schistosoma mansoni GTP-binding protein alpha subunit 0.0046 0.0237 0.0237
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.075 0.075
Brugia malayi MH1 domain containing protein 0.0033 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0058 0.0353 0.0353
Loa Loa (eye worm) transcription factor SMAD2 0.0478 0.4374 0.4374
Loa Loa (eye worm) pax transcription factor protein 2 0.0244 0.2135 0.2135
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.01 0.01
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0046 0.0237 0.0237
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0046 0.0237 0.0237
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.01 0.01
Schistosoma mansoni tar DNA-binding protein 0.0518 0.4757 0.4757
Loa Loa (eye worm) integrin alpha pat-2 0.0044 0.0224 0.0224
Echinococcus multilocularis tar DNA binding protein 0.0518 0.4757 0.4757
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0046 0.0237 0.0237
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0021 0.0003 0.0003
Echinococcus granulosus integrin alpha ps 0.0021 0.0003 0.0003
Echinococcus multilocularis Smad4 0.0033 0.0111 0.0111
Brugia malayi hypothetical protein 0.0083 0.0596 0.0596
Brugia malayi MH1 domain containing protein 0.0033 0.0111 0.0111
Toxoplasma gondii aspartyl protease ASP1 0.0056 0.0336 0.3256
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0068 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0237
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0111 0.0111
Plasmodium falciparum plasmepsin IV 0.0056 0.0336 0.3256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1065 1 1
Schistosoma mansoni tar DNA-binding protein 0.0518 0.4757 0.4757
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1065 1 1
Plasmodium falciparum plasmepsin II 0.0056 0.0336 0.3256
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0056 0.0336 0.0336
Schistosoma mansoni hypothetical protein 0.0031 0.01 0.01
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0058 0.0353 0.0353
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0046 0.0237 0.7047
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0046 0.0237 0.0237
Echinococcus granulosus Smad4 0.0033 0.0111 0.0111
Toxoplasma gondii LsmAD domain-containing protein 0.0129 0.1033 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0046 0.0237 0.0237
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0046 0.0237 0.7047
Schistosoma mansoni smad1 5 8 and 0.0033 0.0111 0.0111
Brugia malayi G-protein alpha subunit 0.0046 0.0237 0.0237
Leishmania major hypothetical protein, conserved 0.0129 0.1033 1
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0046 0.0237 0.0237
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0056 0.0336 0.0336
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0046 0.0237 0.0237
Brugia malayi Latrophilin receptor protein 2 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0237
Onchocerca volvulus 0.0046 0.0237 0.111
Brugia malayi Integrin alpha pat-2 precursor 0.0044 0.0224 0.0224
Brugia malayi MH2 domain containing protein 0.0033 0.0111 0.0111
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0046 0.0237 0.0237
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0046 0.0237 0.0237
Schistosoma mansoni hypothetical protein 0.0031 0.01 0.01
Echinococcus multilocularis smad 0.0033 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0021 0.0003 0.0003
Echinococcus granulosus integrin alpha 3 0.0021 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0068 0.0449 0.0449
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0111 0.0111
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0111 0.0111
Brugia malayi hypothetical protein 0.0046 0.0237 0.0237
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.1579 0.7393
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0046 0.0237 0.0237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1065 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0237
Schistosoma mansoni tar DNA-binding protein 0.0518 0.4757 0.4757
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1065 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.075 0.075
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.075 0.075
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0056 0.0336 0.3256
Echinococcus multilocularis expressed protein 0.0046 0.0237 0.0237
Plasmodium vivax aspartyl proteinase, putative 0.0056 0.0336 0.3256
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.075 0.075
Onchocerca volvulus 0.0046 0.0237 0.111
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0046 0.0237 0.7047
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0046 0.0237 0.7047
Brugia malayi Trypsin family protein 0.0055 0.0323 0.0323
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1065 1 1
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0046 0.0237 0.0237
Schistosoma mansoni hypothetical protein 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0055 0.0323 0.0323
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0111 0.0111
Schistosoma mansoni integrin alpha-ps 0.0023 0.002 0.002
Echinococcus granulosus GPCR family 2 0.0031 0.01 0.01
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0046 0.0237 0.0237
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0046 0.0237 0.0237
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0056 0.0336 0.0336
Schistosoma mansoni tar DNA-binding protein 0.0518 0.4757 0.4757
Schistosoma mansoni hypothetical protein 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0023 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0023 0.002 0.002
Echinococcus multilocularis GPCR, family 2 0.0031 0.01 0.01
Brugia malayi hypothetical protein 0.0129 0.1033 0.1033
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0021 0 0.5
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0046 0.0237 0.7047
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0046 0.0237 0.0237
Schistosoma mansoni smad1 5 8 and 0.0033 0.0111 0.0111
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0046 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.0186 0.1579 0.1579
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0056 0.0336 0.0336
Entamoeba histolytica G protein alpha subunit, putative 0.0046 0.0237 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0046 0.0237 0.7047
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0056 0.0336 1
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0046 0.0237 0.0237
Echinococcus granulosus expressed protein 0.0046 0.0237 0.0237
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0046 0.0237 0.0237
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1065 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0129 0.1033 1
Brugia malayi RNA binding protein 0.0518 0.4757 0.4757
Trypanosoma brucei PAB1-binding protein , putative 0.0129 0.1033 1
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0046 0.0237 0.0237
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0518 0.4757 0.4757
Loa Loa (eye worm) Smad1 0.0033 0.0111 0.0111
Plasmodium vivax ataxin-2 like protein, putative 0.0129 0.1033 1
Schistosoma mansoni cathepsin D (A01 family) 0.0166 0.1384 0.1384
Loa Loa (eye worm) hypothetical protein 0.0021 0.0003 0.0003
Brugia malayi Smad1 0.0033 0.0111 0.0111
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0021 0.0003 0.0003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0237
Loa Loa (eye worm) G protein alpha subunit 3 0.0046 0.0237 0.0237
Schistosoma mansoni GTP-binding protein alpha subunit 0.0046 0.0237 0.0237
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0058 0.0353 0.0353
Plasmodium falciparum plasmepsin I 0.0056 0.0336 0.3256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1065 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0055 0.0323 0.0323
Onchocerca volvulus 0.0046 0.0237 0.111
Echinococcus multilocularis integrin alpha 3 0.0021 0.0003 0.0003
Brugia malayi MH2 domain containing protein 0.0033 0.0111 0.0111
Echinococcus multilocularis integrin alpha ps 0.0021 0.0003 0.0003
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0111 0.0111
Loa Loa (eye worm) RNA binding protein 0.0518 0.4757 0.4757
Brugia malayi N-terminal motif family protein 0.0186 0.1579 0.1579
Loa Loa (eye worm) TAR-binding protein 0.0518 0.4757 0.4757
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0046 0.0237 0.0237
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0111 0.0111
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0046 0.0237 0.7047
Brugia malayi Pax transcription factor protein 2 0.0244 0.2135 0.2135
Schistosoma mansoni smad1 5 8 and 0.0033 0.0111 0.0111
Brugia malayi MH2 domain containing protein 0.0478 0.4374 0.4374
Loa Loa (eye worm) hypothetical protein 0.0129 0.1033 0.1033
Schistosoma mansoni tar DNA-binding protein 0.0518 0.4757 0.4757
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1065 1 1
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0046 0.0237 0.0237
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0046 0.0237 0.0237
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0046 0.0237 0.0237
Echinococcus granulosus integrin alpha ps 0.0044 0.0224 0.0224
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0046 0.0237 0.0237
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0046 0.0237 0.0237
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0449 0.0449
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0046 0.0237 0.0237
Giardia lamblia DUB-1 0.0021 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0518 0.4757 0.4757
Schistosoma mansoni smad 0.0033 0.0111 0.0111
Schistosoma mansoni cathepsin D (A01 family) 0.0166 0.1384 0.1384
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0046 0.0237 0.0237
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0021 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0129 0.1033 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0046 0.0237 0.0237
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0046 0.0237 0.0237
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0056 0.0336 0.0336
Onchocerca volvulus 0.0055 0.0323 0.1514
Plasmodium vivax plasmepsin IV, putative 0.0056 0.0336 0.3256
Schistosoma mansoni integrin alpha 0.0044 0.0224 0.0224
Echinococcus multilocularis integrin alpha ps 0.0044 0.0224 0.0224
Schistosoma mansoni integrin alpha-ps 0.0044 0.0224 0.0224
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0046 0.0237 0.0237
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.01 0.01
Schistosoma mansoni Smad4 0.0033 0.0111 0.0111
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0046 0.0237 0.0237
Plasmodium falciparum ataxin-2 like protein, putative 0.0129 0.1033 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.01 0.01
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0046 0.0237 0.0237
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0021 0 0.5
Onchocerca volvulus 0.0244 0.2135 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0046 0.0237 0.0237
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0237

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 40 uM Inhibition of human matrix metalloproteinase-2 ChEMBL. 12217351
Ki (binding) = 43 uM Inhibition of Clostridium histolyticum collagenase. ChEMBL. 12217351
Ki (binding) = 48 uM Inhibition of human matrix metalloproteinase-8 ChEMBL. 12217351
Ki (binding) = 50 uM Inhibition of human matrix metalloproteinase-9 ChEMBL. 12217351
Ki (binding) = 87 uM Inhibition of human matrix metalloproteinase-1 ChEMBL. 12217351

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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