Detailed information for compound 1612250

Basic information

Technical information
  • TDR Targets ID: 1612250
  • Name: 1-(4a,8a-dihydroquinoxalin-2-yl)-N-(phenylmet hyl)methanesulfonamide
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 2 LogP: 1.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(CC1=NC2C(N=C1)C=CC=C2)NCc1ccccc1
  • InChi: 1S/C16H17N3O2S/c20-22(21,18-10-13-6-2-1-3-7-13)12-14-11-17-15-8-4-5-9-16(15)19-14/h1-9,11,15-16,18H,10,12H2
  • InChiKey: QUPWKWAFQDBZKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4a,8a-dihydroquinoxalin-2-yl)-N-(benzyl)methanesulfonamide
  • AIDS137757
  • NSC642999
  • NCI60_014556
  • 4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide
  • AIDS-137757

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
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0082 0.0169 0.1461
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0929 0.3165 0.3142
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0362 0.1158 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2863 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0169 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0362 0.1158 0.1037
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.2779 0.9702 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0169 0.1461
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0362 0.1158 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2779 0.9702 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0082 0.0169 0.0149
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0082 0.0169 0.0169
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0082 0.0169 0.0169
Trichomonas vaginalis set domain proteins, putative 0.0273 0.0843 0.0707
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0025 0.0025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0025 0.0025
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0082 0.0169 0.0169
Entamoeba histolytica hypothetical protein 0.0082 0.0169 0.0149
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0084 0.0176 0.0181
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0362 0.1158 0.1158
Onchocerca volvulus 0.0057 0.008 0.0947
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0025 0.0025
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0082 0.0169 0.0149
Leishmania major phosphatidylinositol 3-kinase, putative 0.0362 0.1158 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0082 0.0169 0.0169
Loa Loa (eye worm) phosphatidylinositol kinase 0.0082 0.0169 0.0212
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1232 0.4235 0.435
Schistosoma mansoni hypothetical protein 0.0082 0.0169 0.0169
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0362 0.1158 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0362 0.1158 0.1158
Toxoplasma gondii FATC domain-containing protein 0.0082 0.0169 0.1461
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0929 0.3165 0.3142
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0929 0.3165 0.3142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0362 0.1158 0.1037
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.18 0.6241 0.6241
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0082 0.0169 0.0169
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0362 0.1158 0.3301
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0082 0.0169 0.0169
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0362 0.1158 0.1037
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0362 0.1158 0.1158
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Loa Loa (eye worm) phosphatidylinositol 3 0.2295 0.7994 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0082 0.0169 0.0169
Brugia malayi Pre-SET motif family protein 0.024 0.0726 0.0749
Echinococcus granulosus serine protein kinase ATM 0.0082 0.0169 0.0169
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.2779 0.9702 1
Loa Loa (eye worm) hypothetical protein 0.0979 0.334 0.4178
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0082 0.0169 0.0169
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2211 0.7696 0.7927
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.065 0.2176 0.4509
Toxoplasma gondii target of rapamycin (TOR), putative 0.0082 0.0169 0.1461
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0929 0.3165 1
Loa Loa (eye worm) hypothetical protein 0.18 0.6241 0.7808
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0082 0.0169 0.1461
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0362 0.1158 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.008 0.01
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Entamoeba histolytica hypothetical protein 0.0082 0.0169 0.0149
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0082 0.0169 0.1461
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0082 0.0169 0.1461
Loa Loa (eye worm) hypothetical protein 0.0082 0.0169 0.0212
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.2779 0.9702 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0082 0.0169 0.0169
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0082 0.0169 0.0149
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Schistosoma mansoni hypothetical protein 0.0041 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0082 0.0169 0.0212
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0082 0.0169 0.0169
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0082 0.0169 0.0169
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0362 0.1158 0.1037
Loa Loa (eye worm) phosphatidylinositol 3 0.0847 0.2874 0.3595
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.2779 0.9702 1
Entamoeba histolytica hypothetical protein 0.0082 0.0169 0.0149
Brugia malayi hypothetical protein 0.0041 0.0025 0.0026
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.1341 0.4619 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0082 0.0169 0.0169
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0929 0.3165 0.3262
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Plasmodium vivax hypothetical protein 0.0082 0.0169 0.1461
Onchocerca volvulus 0.0082 0.0169 0.2007
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0362 0.1158 0.1449
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.008 0.008
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0362 0.1158 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1908 0.6626 0.6773
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0082 0.0169 0.1461
Mycobacterium leprae conserved hypothetical protein 0.0082 0.0169 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1908 0.6626 0.6773
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Echinococcus multilocularis serine protein kinase ATM 0.0082 0.0169 0.0169
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.0726 0.0909
Echinococcus granulosus tumor protein p63 0.0389 0.1255 0.1255
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0362 0.1158 0.1158
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0082 0.0169 0.0169
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0082 0.0169 0.0169
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0082 0.0169 0.1461
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0929 0.3165 0.3244
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0082 0.0169 0.0169
Schistosoma mansoni fkbp-rapamycin associated protein 0.0082 0.0169 0.0169
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0362 0.1158 0.1158
Entamoeba histolytica hypothetical protein 0.2211 0.7696 0.7927
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0362 0.1158 0.1037
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2779 0.9702 1
Onchocerca volvulus 0.0082 0.0169 0.2007
Entamoeba histolytica hypothetical protein 0.0082 0.0169 0.0149
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2863 1 1
Echinococcus multilocularis tumor protein p63 0.0389 0.1255 0.1255
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0082 0.0169 0.0169
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0929 0.3165 0.3165
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0847 0.2874 0.2837
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0082 0.0169 0.0169
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0082 0.0169 0.0174
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0362 0.1158 0.1171
Entamoeba histolytica protein kinase rad3, putative 0.0082 0.0169 0.0149
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0082 0.0169 0.0149
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0929 0.3165 0.3142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.18 0.6241 0.6433
Onchocerca volvulus 0.0273 0.0843 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0082 0.0169 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0082 0.0169 0.0212
Echinococcus multilocularis 0.0082 0.0169 0.0169
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0929 0.3165 0.3244
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.2779 0.9702 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0362 0.1158 0.1194
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.18 0.6241 0.6241
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.2696 0.9412 0.9699
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0082 0.0169 0.0169
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0082 0.0169 0.1461
Echinococcus multilocularis Zinc finger, PHD finger 0.0362 0.1158 0.1158
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0082 0.0169 0.0169
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0362 0.1158 0.1171

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.398 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) -4.158 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) -4.123 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
GI50 (functional) -4 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 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 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 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 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.