Detailed information for compound 1488153

Basic information

Technical information
  • TDR Targets ID: 1488153
  • Name: N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl ]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
  • MW: 372.806 | Formula: C18H17ClN4O3
  • H donors: 3 H acceptors: 3 LogP: 1.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1)Cl)CNC(=O)N1CC(=O)Nc2c1cccc2
  • InChi: 1S/C18H17ClN4O3/c19-13-7-5-12(6-8-13)9-20-16(24)10-21-18(26)23-11-17(25)22-14-3-1-2-4-15(14)23/h1-8H,9-11H2,(H,20,24)(H,21,26)(H,22,25)
  • InChiKey: HTXFBUAGILGVFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
  • N-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-3-keto-2,4-dihydroquinoxaline-1-carboxamide
  • ZINC06719857

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
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
Loa Loa (eye worm) hypothetical protein 0.0712 1 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0712 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0712 1 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0712 1 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0204 0.0125
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0699 0.1289
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0334 0.4401 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0699 0.062
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0204 0.0125
Echinococcus granulosus Niemann Pick C1 protein 0.0293 0.3795 0.3742
Echinococcus multilocularis chromobox protein 1 0.0084 0.0699 0.062
Echinococcus multilocularis protein patched 0.0293 0.3795 0.3742
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0334 0.4401 0.5
Schistosoma mansoni jumonji domain containing protein 0.0092 0.081 0.0732
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0151 0.7399
Echinococcus multilocularis protein dispatched 1 0.0293 0.3795 0.3742
Schistosoma mansoni patched 1 0.0293 0.3795 0.3742
Schistosoma mansoni chromobox protein 0.0084 0.0699 0.062
Brugia malayi jmjC domain containing protein 0.0115 0.1161 0.1086
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0712 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0334 0.4401 1
Schistosoma mansoni chromobox protein 0.0084 0.0699 0.062
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0712 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0293 0.3795 0.3742
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0712 1 0.5
Echinococcus granulosus Protein patched homolog 1 0.0293 0.3795 0.3742
Echinococcus granulosus chromobox protein 1 0.0084 0.0699 0.062
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0699 0.0699
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0293 0.3795 0.3795
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1161 0.1086
Echinococcus granulosus chromobox protein 1 0.0084 0.0699 0.062
Brugia malayi Heterochromatin protein 1 0.0084 0.0699 0.062
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0712 1 0.5
Brugia malayi chromobox protein homolog 3 0.0047 0.0151 0.0068
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0529 0.0529
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1161 0.1086
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0699 0.1289
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0712 1 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0178 0.0095
Echinococcus granulosus sterol regulatory element binding protein 0.0293 0.3795 0.3742
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0334 0.4401 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0204 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0084 0.0084
Echinococcus multilocularis Niemann Pick C1 protein 0.0293 0.3795 0.3742
Loa Loa (eye worm) hypothetical protein 0.006 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0293 0.3795 0.3795
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0178 0.0095
Brugia malayi CHE-14 protein 0.0293 0.3795 0.3742
Trichomonas vaginalis conserved hypothetical protein 0.0293 0.3795 0.8574
Loa Loa (eye worm) hypothetical protein 0.0047 0.0151 0.0151
Echinococcus multilocularis sterol regulatory element binding protein 0.0293 0.3795 0.3742

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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