Detailed information for compound 374021

Basic information

Technical information
  • TDR Targets ID: 374021
  • Name: N-[5-chloro-2-(morpholine-4-carbonyl)phenyl]q uinoxaline-5-sulfonamide
  • MW: 432.881 | Formula: C19H17ClN4O4S
  • H donors: 1 H acceptors: 5 LogP: 2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N1CCOCC1
  • InChi: 1S/C19H17ClN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
  • InChiKey: MJRSEXZNNRWJPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-chloro-2-[morpholino(oxo)methyl]phenyl]-5-quinoxalinesulfonamide
  • N-(5-chloro-2-morpholin-4-ylcarbonyl-phenyl)quinoxaline-5-sulfonamide
  • N-[5-chloro-2-(morpholino-oxomethyl)phenyl]-5-quinoxalinesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholecystokinin B receptor Starlite/ChEMBL References
Homo sapiens cholecystokinin A receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi sulfakinin receptor protein Get druggable targets OG5_132882 All targets in OG5_132882
Brugia malayi hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus rhodopsin orphan GPCR cholecystokinin A receptor 428 aa 373 aa 19.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.0433 0.0835
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0534 0.1048
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0534 0.1048
Schistosoma mansoni nuclear receptor nhr-48 0.0076 0.1724 0.3562
Schistosoma mansoni nuclear hormone receptor 0.0076 0.1724 0.3562
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.477 0.5676
Loa Loa (eye worm) hypothetical protein 0.0038 0.0357 0.032
Brugia malayi Steroid receptor seven-up type 2 0.0161 0.477 0.5676
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0161 0.477 1
Schistosoma mansoni thyroid hormone receptor 0.0161 0.477 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.1724 0.232
Brugia malayi Heterochromatin protein 1 0.0067 0.1418 0.1656
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0534 0.5
Schistosoma mansoni nuclear hormone receptor 0.0161 0.477 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.205 0.2019
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0642 0.1422
Brugia malayi hypothetical protein 0.0118 0.3223 0.382
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.1724 0.3562
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Loa Loa (eye worm) nuclear receptor NHR-67 0.0076 0.1724 0.1692
Brugia malayi sulfakinin receptor protein 0.0261 0.8375 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.477 0.5676
Loa Loa (eye worm) thymidylate synthase 0.0105 0.2757 0.2729
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0642 0.1347
Loa Loa (eye worm) hypothetical protein 0.0085 0.205 0.2019
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.2757 0.5745
Echinococcus multilocularis chromobox protein 1 0.0067 0.1418 0.2917
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0161 0.477 0.5676
Trichomonas vaginalis chromobox protein, putative 0.0041 0.046 0.015
Brugia malayi hypothetical protein 0.0076 0.1724 0.2022
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2742 0.8411
Trichomonas vaginalis chromobox protein, putative 0.0041 0.046 0.015
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi hypothetical protein 0.0261 0.8375 1
Brugia malayi ecdysone receptor 0.0076 0.1724 0.2022
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.2757 0.8467
Brugia malayi Nuclear hormone receptor-like 1 0.0085 0.205 0.2413
Brugia malayi Nuclear hormone receptor-like 1 0.0085 0.205 0.2413
Loa Loa (eye worm) hypothetical protein 0.0261 0.8375 0.8369
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0161 0.477 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0642 0.1422
Echinococcus multilocularis thymidylate synthase 0.0105 0.2757 0.5745
Brugia malayi nuclear receptor RXR 0.0076 0.1724 0.2022
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi orphan nuclear receptor NR2E1 0.0076 0.1724 0.2022
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0642 0.1277
Brugia malayi nuclear receptor NHR-67 0.0076 0.1724 0.2022
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.477 0.5676
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3159 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3159 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0161 0.477 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0161 0.477 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0161 0.477 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0085 0.205 0.2019
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0161 0.477 0.5676
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0642 0.0413
Loa Loa (eye worm) nuclear hormone receptor 0.0076 0.1724 0.1692
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0534 0.0498
Onchocerca volvulus Protein ultraspiracle homolog 0.0161 0.477 0.6581
Brugia malayi hypothetical protein 0.0076 0.1724 0.2022
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0534 0.0595
Brugia malayi hypothetical protein 0.0085 0.205 0.2413
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0076 0.1724 0.3562
Trichomonas vaginalis set domain proteins, putative 0.0229 0.7214 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0076 0.1724 0.3562
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0085 0.205 0.4251
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0161 0.477 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0085 0.205 0.4251
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0147 0.4287 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0161 0.477 0.5676
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.1724 0.3562
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.477 0.5676
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0161 0.477 1
Onchocerca volvulus 0.0161 0.477 0.6581
Echinococcus granulosus chromobox protein 1 0.0067 0.1418 0.2973
Brugia malayi nuclear hormone receptor family member odr-7 0.0076 0.1724 0.2022
Brugia malayi glutathione reductase 0.0046 0.0642 0.0725
Echinococcus multilocularis chromobox protein 1 0.0067 0.1418 0.2917
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0105 0.2757 0.8467
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.1724 0.3613
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0161 0.477 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0642 0.0607
Brugia malayi nuclear receptor NHR-88 0.0076 0.1724 0.2022
Loa Loa (eye worm) DR-78 0.0076 0.1724 0.1692
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0161 0.477 0.6581
Onchocerca volvulus Bile acid receptor homolog 0.0161 0.477 0.6581
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.1418 0.1386
Onchocerca volvulus 0.0076 0.1724 0.232
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0147 0.4287 1
Brugia malayi hypothetical protein 0.0085 0.205 0.2413
Loa Loa (eye worm) hypothetical protein 0.0085 0.205 0.2019
Brugia malayi ecdysteroid receptor 0.0161 0.477 0.5676
Brugia malayi conserved hypotetical protein 0.0076 0.1724 0.2022
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0789 0.0402
Brugia malayi Nuclear hormone receptor E75 0.0076 0.1724 0.2022
Brugia malayi nuclear hormone receptor 0.0161 0.477 0.5676
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0161 0.477 0.475
Echinococcus granulosus thymidylate synthase 0.0105 0.2757 0.5779
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.477 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0085 0.205 0.4251
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.477 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0161 0.477 1
Brugia malayi hypothetical protein 0.005 0.0789 0.0901
Echinococcus multilocularis ecdysone induced protein 78C 0.0161 0.477 1
Brugia malayi Dihydrofolate reductase 0.0043 0.0534 0.0595
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0357 0.0409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0161 0.477 0.475
Echinococcus multilocularis FTZ F1 alpha 0.0161 0.477 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.1724 0.3613
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.4287 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.1724 0.3613
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0147 0.4287 1
Brugia malayi tailless protein 0.0076 0.1724 0.2022
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2742 0.8411
Brugia malayi Nuclear hormone receptor-like 1 0.0161 0.477 0.5676
Echinococcus granulosus FTZ F1 alpha 0.0161 0.477 1
Schistosoma mansoni nuclear receptor 0.0076 0.1724 0.3562
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0085 0.205 0.4297
Schistosoma mansoni hypothetical protein 0.005 0.0796 0.1602
Brugia malayi steroid hormone receptor 0.0161 0.477 0.5676
Schistosoma mansoni thyroid hormone receptor 0.0161 0.477 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.6218 0.6203
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3159 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0161 0.477 0.5676
Onchocerca volvulus 0.004 0.0433 0.0516
Schistosoma mansoni RAR-like nuclear receptor 0.0161 0.477 1
Schistosoma mansoni coup transcription factor 0.0161 0.477 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0161 0.477 0.5676
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2742 0.8411
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.046 0.0553
Brugia malayi Nuclear hormone receptor E75 0.0076 0.1724 0.2022
Brugia malayi Pre-SET motif family protein 0.0201 0.6218 0.7412
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3159 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0076 0.1724 0.3613
Loa Loa (eye worm) hypothetical protein 0.0085 0.205 0.2019
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Loa Loa (eye worm) hypothetical protein 0.0085 0.205 0.2019
Loa Loa (eye worm) steroid hormone receptor 0.0161 0.477 0.475
Onchocerca volvulus 0.0105 0.2757 0.3765
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0076 0.1724 0.2022
Brugia malayi chromobox protein homolog 3 0.0038 0.0357 0.0383
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0027
Mycobacterium ulcerans thymidylate synthase 0.0105 0.2757 1
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0534 0.1119
Brugia malayi nuclear hormone receptor family member nhr-6 0.0076 0.1724 0.2022
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0076 0.1724 0.3562
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0161 0.477 0.475
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Schistosoma mansoni chromobox protein 0.0067 0.1418 0.2917
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0161 0.477 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.2742 0.8411
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.4287 1
Brugia malayi nuclear hormone receptor 0.0076 0.1724 0.2022
Brugia malayi nuclear receptor NHR-88 0.0161 0.477 0.5676
Brugia malayi thymidylate synthase 0.0105 0.2757 0.3261
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0076 0.1724 0.3562
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0147 0.4287 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.1724 0.3562
Schistosoma mansoni retinoic acid receptor RXR 0.0161 0.477 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0161 0.477 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0161 0.477 0.5676
Echinococcus granulosus chromobox protein 1 0.0067 0.1418 0.2973
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0161 0.477 0.5676
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2742 0.8411
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0161 0.477 0.475
Schistosoma mansoni chromobox protein 0.0067 0.1418 0.2917
Mycobacterium tuberculosis Probable reductase 0.0104 0.2742 0.8411
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0038 0.008
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0642 0.0607
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0076 0.1724 0.1692
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi nuclear receptor RXR 0.0085 0.205 0.2413
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0161 0.477 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0161 0.477 0.475
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.1724 0.232
Onchocerca volvulus 0.0076 0.1724 0.232
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0789 0.063
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0789 0.0972
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0161 0.477 0.475
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1418 0.1548
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.477 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0161 0.477 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0076 0.1724 0.3613
Onchocerca volvulus 0.0229 0.7214 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0161 0.477 0.475
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.477 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0161 0.477 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1724 0.1692
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.477 0.5676
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1418 0.1548
Echinococcus granulosus ecdysone induced protein 78C 0.0161 0.477 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0161 0.477 0.5676
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.477 0.5676
Echinococcus multilocularis nuclear receptor nhr 48 0.0076 0.1724 0.3562
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.477 1
Brugia malayi Thioredoxin reductase 0.0046 0.0642 0.0725
Echinococcus granulosus nuclear receptor nhr 48 0.0076 0.1724 0.3613
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0161 0.477 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2742 0.8411
Schistosoma mansoni nuclear hormone receptor 0.0076 0.1724 0.3562
Schistosoma mansoni nuclear receptor 0.0076 0.1724 0.3562
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475
Plasmodium vivax glutathione reductase, putative 0.0046 0.0642 0.1422
Schistosoma mansoni zinc finger protein 0.0076 0.1724 0.3562
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0161 0.477 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.477 0.475

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -6.5 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143
Ki (binding) < -5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) < 5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) = 6.5 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143

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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