Detailed information for compound 1943637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.728 | Formula: C15H13ClN2O4
  • H donors: 3 H acceptors: 3 LogP: 2.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONc1cc(oc(=O)c1C(=O)NC1CC1)c1ccc(cc1)Cl
  • InChi: 1S/C15H13ClN2O4/c16-9-3-1-8(2-4-9)12-7-11(18-21)13(15(20)22-12)14(19)17-10-5-6-10/h1-4,7,10,18,21H,5-6H2,(H,17,19)
  • InChiKey: CIQYAESCTOHNGC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Latrophilin receptor protein 2 0.0055 0.049 0.049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.049 0.1133
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0055 0.049 0.1133
Brugia malayi hypothetical protein 0.0075 0.1025 0.1025
Echinococcus multilocularis GPCR, family 2 0.0055 0.049 0.1133
Schistosoma mansoni hypothetical protein 0.02 0.4328 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0337 0.7944 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0116 0.2113 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0055 0.049 0.1133
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0518 0.245
Mycobacterium tuberculosis Probable dehydrogenase 0.0127 0.2407 0.303
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0165 0.0381
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0127 0.2407 0.303
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0142 0.2783 0.3503
Plasmodium vivax glutathione reductase, putative 0.0056 0.0518 0.0652
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.049 0.049
Trypanosoma cruzi PAB1-binding protein , putative 0.0116 0.2113 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0337 0.7944 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0127 0.2407 0.303
Schistosoma mansoni hypothetical protein 0.02 0.4328 1
Loa Loa (eye worm) glutathione reductase 0.0056 0.0518 0.0518
Echinococcus granulosus GPCR family 2 0.0055 0.049 0.1133
Brugia malayi glutathione reductase 0.0056 0.0518 0.0518
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0142 0.2783 0.0678
Schistosoma mansoni hypothetical protein 0.0055 0.049 0.1133
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0165 0.0381
Toxoplasma gondii thioredoxin reductase 0.0056 0.0518 0.245
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0518 0.0652
Brugia malayi hypothetical protein 0.0042 0.0165 0.0165
Schistosoma mansoni hypothetical protein 0.0118 0.217 0.5014
Loa Loa (eye worm) hypothetical protein 0.0055 0.049 0.049
Trypanosoma brucei PAB1-binding protein , putative 0.0116 0.2113 1
Entamoeba histolytica hypothetical protein 0.0042 0.0165 0.5
Echinococcus granulosus geminin 0.02 0.4328 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0173 0.3618 0.3618
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0127 0.2407 0.303
Schistosoma mansoni hypothetical protein 0.0042 0.0165 0.0381
Schistosoma mansoni hypothetical protein 0.0055 0.049 0.1133
Plasmodium falciparum ataxin-2 like protein, putative 0.0116 0.2113 0.266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0173 0.3618 0.3618
Brugia malayi latrophilin 2 splice variant baaae 0.0118 0.217 0.217
Brugia malayi Thioredoxin reductase 0.0056 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0173 0.3618 0.3618
Brugia malayi Pax transcription factor protein 2 0.0284 0.655 0.655
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0052 0.042 0.097
Loa Loa (eye worm) pax transcription factor protein 2 0.0284 0.655 0.655
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0518 0.1196
Treponema pallidum hypothetical protein 0.0337 0.7944 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.049 0.1133
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0337 0.7944 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0337 0.7944 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.2113 0.2113
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0127 0.2407 0.303
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0165 0.0381
Plasmodium falciparum glutathione reductase 0.0056 0.0518 0.0652
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.049 0.1133
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.049 0.049
Plasmodium falciparum ataxin-2 like protein, putative 0.0116 0.2113 0.266
Plasmodium vivax ataxin-2 like protein, putative 0.0116 0.2113 0.266
Schistosoma mansoni hypothetical protein 0.0055 0.049 0.1133
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0337 0.7944 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0116 0.2113 1
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0518 0.0518
Entamoeba histolytica hypothetical protein 0.0042 0.0165 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0142 0.2783 0.3503
Loa Loa (eye worm) hypothetical protein 0.0118 0.217 0.217
Echinococcus multilocularis geminin 0.02 0.4328 1
Entamoeba histolytica hypothetical protein 0.0042 0.0165 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0518 0.1196
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0052 0.042 0.097
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0142 0.2783 0.3503
Brugia malayi hypothetical protein 0.0116 0.2113 0.2113
Leishmania major trypanothione reductase 0.0056 0.0518 0.245
Schistosoma mansoni hypothetical protein 0.0052 0.042 0.097
Trypanosoma brucei trypanothione reductase 0.0056 0.0518 0.245
Leishmania major hypothetical protein, conserved 0.0116 0.2113 1
Entamoeba histolytica hypothetical protein 0.0042 0.0165 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0518 0.0652
Plasmodium falciparum thioredoxin reductase 0.0056 0.0518 0.0652
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0173 0.3618 0.3618
Mycobacterium tuberculosis Probable reductase 0.0127 0.2407 0.303
Onchocerca volvulus 0.0284 0.655 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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