Detailed information for compound 1604636

Basic information

Technical information
  • TDR Targets ID: 1604636
  • Name: 2-naphthalen-1-ylsulfonylsulfanyl-4,5-dihydro -1H-imidazole
  • MW: 292.377 | Formula: C13H12N2O2S2
  • H donors: 1 H acceptors: 2 LogP: 2.14 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1cccc2c1cccc2)SC1=NCCN1
  • InChi: 1S/C13H12N2O2S2/c16-19(17,18-13-14-8-9-15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,14,15)
  • InChiKey: NDWQPJGIMYYXAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(1-naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole
  • 2-(1-naphthylsulfonylthio)-4,5-dihydro-1H-imidazole
  • S-(4,5-Dihydro-1H-imidazol-2-yl) 1-naphthalenesulfonothioate
  • NCI60_031234
  • AIDS-108871
  • AIDS108871
  • NSC686568

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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0919 0.4366 0.4366
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0157 0.0163 0.0163
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0138 0.0054 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.1544 0.7813 0.7813
Schistosoma mansoni hypothetical protein 0.0283 0.0858 0.0858
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0138 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0241 0.0627 0.0627
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0168 0.0221 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.1941 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0653 0.2895 0.2895
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0172 0.0241 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.1657 0.8437 0.8437
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0157 0.0163 0.0163
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0138 0.0054 0.0054
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0653 0.2895 0.2895
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1544 0.7813 0.7813
Entamoeba histolytica hypothetical protein 0.0369 0.1332 0.1332
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0138 0.0054 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1049 0.5082 0.5082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0202 0.0408 0.0408
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0138 0.0054 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0411 0.1563 0.1563
Loa Loa (eye worm) hypothetical protein 0.0395 0.1473 0.1473
Echinococcus granulosus Dipeptidyl peptidase 9 0.0303 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.1049 0.5082 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0157 0.0163 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.1941 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0138 0.0054 0.0054
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0222 0.0517 0.0517
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0138 0.0054 0.0054
Leishmania major phosphatidylinositol 3-kinase, putative 0.0138 0.0054 0.0054
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0653 0.2895 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1261 0.625 0.625
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0303 0.0963 0.0963
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0307 0.0987 0.0987
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0653 0.2895 0.2895
Brugia malayi FAT domain containing protein 0.0283 0.0858 0.0858
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0653 0.2895 0.2895
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0148 0.0109 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.1149 0.5634 0.5634
Trichomonas vaginalis PIKK family atypical protein kinase 0.1941 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0188 0.0329 0.0329
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0653 0.2895 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0222 0.0517 0.0517
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1941 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0411 0.1563 0.2153
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.09 0.4259 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0653 0.2895 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1161 0.5698 0.5698
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0808 0.375 0.375
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0222 0.0517 0.0517
Trichomonas vaginalis PIKK family atypical protein kinase 0.0369 0.1332 0.1332
Entamoeba histolytica hypothetical protein 0.0202 0.0408 0.0408
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1941 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0241 0.0627 0.0627
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0222 0.0517 0.0517
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0138 0.0054 0.0054
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0653 0.2895 0.2895
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1941 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0157 0.0163 0.0163
Brugia malayi hypothetical protein 0.0231 0.057 0.057
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.09 0.4259 0.4259
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0369 0.1332 0.1332
Loa Loa (eye worm) prolyl oligopeptidase 0.09 0.4259 0.4259
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1941 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0653 0.2895 0.2895
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0138 0.0054 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.1544 0.7813 0.7813
Toxoplasma gondii FATC domain-containing protein 0.0369 0.1332 0.1835
Brugia malayi prolyl oligopeptidase family protein 0.09 0.4259 0.4259
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0369 0.1332 0.1332
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0369 0.1332 0.1332
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0303 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.1049 0.5082 0.5082
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0157 0.0163 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0283 0.0858 0.0858
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1941 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0369 0.1332 0.1332
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0369 0.1332 0.1332
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0222 0.0517 0.0517
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0303 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.1544 0.7813 0.7813
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0157 0.0163 0.0163
Entamoeba histolytica protein kinase rad3, putative 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1161 0.5698 0.5698
Echinococcus multilocularis Zinc finger, PHD finger 0.0138 0.0054 0.0054
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0307 0.0987 0.0987
Loa Loa (eye worm) hypothetical protein 0.0283 0.0858 0.0858
Trypanosoma cruzi target of rapamycin kinase 3 0.1546 0.7822 0.7822
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0191 0.035 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.1149 0.5634 0.5634
Trichomonas vaginalis PIKK family atypical protein kinase 0.1048 0.5074 0.5074
Trichomonas vaginalis conserved hypothetical protein 0.0283 0.0858 0.0858
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0303 0.0963 0.1327
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0138 0.0054 0.0054
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0222 0.0517 0.0517
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.0627 0.0627
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1941 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1941 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.2895 0.2895
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1941 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.1332 0.1332
Mycobacterium leprae conserved hypothetical protein 0.0128 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0287 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2178 0.2178
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1546 0.7822 0.7822
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1303 0.6481 0.6481
Schistosoma mansoni fkbp-rapamycin associated protein 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.0163 0.0163
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0138 0.0054 0.0054
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0138 0.0054 0.0054
Loa Loa (eye worm) phosphatidylinositol 3 0.1941 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.0329 0.0329
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0138 0.0054 0.0054
Echinococcus multilocularis serine protein kinase ATM 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.09 0.4259 0.4259
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0188 0.0329 0.0329
Trichomonas vaginalis PIKK family atypical protein kinase 0.1161 0.5698 0.5698
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0138 0.0054 0.0074
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1048 0.5074 0.5074
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.7261 0.7261
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1941 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1546 0.7822 0.7822
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0653 0.2895 0.2895
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0307 0.0987 0.0987
Loa Loa (eye worm) hypothetical protein 0.0411 0.1563 0.1563
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0303 0.0963 0.0963
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0283 0.0858 0.0858
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0191 0.035 0.035
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0138 0.0054 0.0054
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1941 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0138 0.0054 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0128 0 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.09 0.4259 0.4259
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0241 0.0627 0.0627
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.2895 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.2895 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0157 0.0163 0.0163
Echinococcus granulosus serine protein kinase ATM 0.0369 0.1332 0.1332
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0138 0.0054 0.0054
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0303 0.0963 0.0963
Loa Loa (eye worm) phosphatidylinositol 3 0.0653 0.2895 0.2895
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1941 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0138 0.0054 0.0054
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0188 0.0329 0.0329
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0138 0.0054 0.0074
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0369 0.1332 0.1332
Toxoplasma gondii target of rapamycin (TOR), putative 0.1444 0.7261 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0303 0.0963 0.0963
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0157 0.0163 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0369 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.057 0.057
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0222 0.0517 0.0517
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0303 0.0963 0.0963
Giardia lamblia GTOR 0.1941 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1048 0.5074 0.5074
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0138 0.0054 0.0054
Brugia malayi prolyl oligopeptidase family protein 0.0303 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.1544 0.7813 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.1049 0.5082 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.2895 0.2895
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0369 0.1332 0.1332
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0369 0.1332 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.2895 0.2895

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.729 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.719 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.692 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.638 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.568 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.546 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.529 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.495 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.445 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.434 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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