Detailed information for compound 77477

Basic information

Technical information
  • TDR Targets ID: 77477
  • Name: 2-naphthalen-1-ylsulfonylguanidine
  • MW: 249.289 | Formula: C11H11N3O2S
  • H donors: 2 H acceptors: 2 LogP: 1.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NS(=O)(=O)c1cccc2c1cccc2
  • InChi: 1S/C11H11N3O2S/c12-11(13)14-17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,12,13,14)
  • InChiKey: FLNTWZZDTKZULN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-naphthylsulfonyl)guanidine
  • 2-(1-naphthalenylsulfonyl)guanidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protease, serine, 1 (trypsin 1) References
Homo sapiens protease, serine, 3 Starlite/ChEMBL References
Homo sapiens protease, serine, 2 (trypsin 2) References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 3 261 aa 234 aa 25.2 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 2 (trypsin 2) 247 aa 240 aa 25.8 %
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.343 0.343
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0329 0.8733 0.8733
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0184 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0184 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0162 0.3749 0.3953
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0051 0.5
Schistosoma mansoni alkaline phosphatase 0.0329 0.8733 0.9479
Brugia malayi Cache domain containing protein 0.0075 0.1144 0.1244
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0051 0.5
Onchocerca volvulus 0.0319 0.8449 0.9168
Echinococcus multilocularis alkaline phosphatase 0.0329 0.8733 0.8733
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0329 0.8733 0.8733
Schistosoma mansoni hypothetical protein 0.0171 0.4015 0.4247
Loa Loa (eye worm) inositol-1 0.0043 0.0184 0.0043
Plasmodium falciparum polyubiquitin binding protein, putative 0.0036 0 0.5
Schistosoma mansoni serine-rich repeat protein 0.0087 0.1517 0.1477
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0184 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0184 1
Schistosoma mansoni hypothetical protein 0.0087 0.1517 0.1477
Brugia malayi Matrixin family protein 0.0045 0.0257 0.0279
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.2713 0.2713
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0169 0.3955 0.3955
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0044 0.0233 0.0054
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0184 0.5
Echinococcus granulosus alkaline phosphatase 0.0329 0.8733 0.8733
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0184 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0344 0.9203 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0329 0.8733 0.8733
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0344 0.9203 1
Loa Loa (eye worm) matrixin family protein 0.0045 0.0257 0.0123
Schistosoma mansoni thyroid hormone receptor 0.0151 0.343 0.3599
Loa Loa (eye worm) hypothetical protein 0.0344 0.9203 1
Brugia malayi Trypsin family protein 0.0344 0.9203 1
Brugia malayi Inositol-1 0.0043 0.0184 0.02
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0184 1
Schistosoma mansoni alkaline phosphatase 0.0329 0.8733 0.9479
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0184 0.0184
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0068 0.0935 0.0935
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0329 0.8733 0.8733
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0371 1 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0082 0.135 0.1293
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0184 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0184 0.5
Loa Loa (eye worm) hypothetical protein 0.0344 0.9203 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1144 0.1103
Echinococcus granulosus voltage dependent calcium channel subunit 0.0169 0.3955 0.3955
Echinococcus granulosus intestinal type alkaline phosphatase 0.0329 0.8733 0.8733
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0329 0.8733 0.8733
Schistosoma mansoni hypothetical protein 0.0052 0.0474 0.0321
Schistosoma mansoni thyroid hormone receptor 0.0151 0.343 0.3599
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0184 1
Schistosoma mansoni hypothetical protein 0.0127 0.2713 0.2804
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0184 1
Onchocerca volvulus 0.0344 0.9203 1
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0184 0.0184
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.2713 0.2713
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0068 0.0935 0.0935

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 136 nM Inhibitory activity against human thrombin (using Chromozym TH as the substrate) ChEMBL. 10794696
Ki (binding) = 136 nM Inhibitory activity against human thrombin (using Chromozym TH as the substrate) ChEMBL. 10794696
Ki (binding) = 1230 nM Inhibitory activity against human trypsin (using Chromozym TH as the substrate) ChEMBL. 10794696
Ki (binding) = 1230 nM Inhibitory activity against human trypsin (using Chromozym TH as the substrate) ChEMBL. 10794696

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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