Detailed information for compound 230058

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.187 | Formula: C15H11Cl2N5O
  • H donors: 2 H acceptors: 4 LogP: 3.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nc1nc2nc(C)ncc2cc1c1c(Cl)cccc1Cl
  • InChi: 1S/C15H11Cl2N5O/c1-7-19-6-8-5-9(12-10(16)3-2-4-11(12)17)14(22-15(18)23)21-13(8)20-7/h2-6H,1H3,(H3,18,19,20,21,22,23)
  • InChiKey: WCSCZDVSSDMNAS-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) glutaminase 2 0.0283 0.253 0.8254
Echinococcus granulosus fatty acid binding protein FABP2 0.0142 0.1139 0.2457
Entamoeba histolytica hypothetical protein 0.0041 0.0149 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0489 0.1933
Echinococcus multilocularis fatty acid binding protein FABP2 0.0142 0.1139 0.1443
Schistosoma mansoni phosphoglucomutase 0.0279 0.2482 0.2438
Loa Loa (eye worm) MBCTL1 0.006 0.0333 0.1074
Toxoplasma gondii ribonuclease HI protein 0.0279 0.2482 1
Echinococcus multilocularis neuropeptide receptor A26 0.0479 0.4454 0.5872
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0059 0.0054
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0149 0.0091
Trypanosoma brucei hypothetical protein, conserved 0.0302 0.2714 0.2711
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.7544 1
Trypanosoma cruzi ribonuclease H1, putative 0.0279 0.2482 1
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0333 0.0624
Echinococcus multilocularis ribonuclease H1 0.0279 0.2482 0.3237
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0279 0.2482 0.5
Schistosoma mansoni chromobox protein 0.0075 0.0489 0.0433
Echinococcus granulosus neuropeptide receptor A26 0.0479 0.4454 1
Plasmodium falciparum importin beta, putative 0.0032 0.0059 1
Brugia malayi mbt repeat family protein 0.0052 0.0262 0.1019
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0262 0.0204
Brugia malayi RNase H family protein 0.0279 0.2482 0.981
Echinococcus multilocularis fatty acid binding protein FABP2 0.0142 0.1139 0.1443
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0226
Brugia malayi mbt repeat family protein 0.0052 0.0262 0.1019
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0042 0.0167
Brugia malayi chromobox protein homolog 3 0.0042 0.0163 0.0629
Brugia malayi Importin beta-1 subunit 0.0032 0.0059 0.0214
Echinococcus granulosus chromobox protein 1 0.0075 0.0489 0.0979
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0142 0.1139 0.4491
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0262 0.0782
Treponema pallidum ribonuclease H (rnhA) 0.0279 0.2482 0.5
Echinococcus multilocularis snurportin 1 0.0338 0.3064 0.4015
Brugia malayi Cytochrome P450 family protein 0.0051 0.0245 0.095
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0366 0.1459
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0163 0.0646
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0366 0.0309
Entamoeba histolytica hypothetical protein 0.0041 0.0149 1
Onchocerca volvulus 0.0052 0.0262 0.0782
Echinococcus granulosus ribonuclease H1 0.0279 0.2482 0.5513
Schistosoma mansoni glutaminase 0.0283 0.253 0.2486
Loa Loa (eye worm) hypothetical protein 0.0052 0.0262 0.0841
Echinococcus granulosus snurportin 1 0.0338 0.3064 0.6838
Leishmania major ribonuclease H1, putative 0.0279 0.2482 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0149 0.012
Echinococcus multilocularis chromobox protein 1 0.0075 0.0489 0.0575
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0262 0.0462
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0262 0.0462
Brugia malayi glutaminase DH11.1 0.0283 0.253 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0195 0.0771
Schistosoma mansoni chromobox protein 0.0075 0.0489 0.0433
Schistosoma mansoni phosphoglucomutase 0.0279 0.2482 0.2438
Brugia malayi hypothetical protein 0.0041 0.0149 0.0571
Onchocerca volvulus Ribonuclease H1 homolog 0.0279 0.2482 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0262 0.0204
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0333 0.0624
Entamoeba histolytica hypothetical protein 0.0041 0.0149 1
Trichomonas vaginalis glutaminase, putative 0.0283 0.253 1
Entamoeba histolytica hypothetical protein 0.0041 0.0149 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0366 0.0309
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0195 0.0504
Trypanosoma cruzi ribonuclease H1, putative 0.0279 0.2482 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0333 0.0366
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0338 0.3064 1
Trypanosoma brucei ingi protein (ORF1) 0.0302 0.2714 0.2711
Brugia malayi Heterochromatin protein 1 0.0075 0.0489 0.1918
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0195 0.0771
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0005 0.0019
Mycobacterium ulcerans glutaminase 0.0283 0.253 1
Schistosoma mansoni hypothetical protein 0.0318 0.2872 0.283
Trichomonas vaginalis ribonuclease H1, putative 0.0279 0.2482 0.981
Schistosoma mansoni phosphoglucomutase 0.0279 0.2482 0.2438
Echinococcus granulosus neuropeptide s receptor 0.0479 0.4454 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0366 0.5
Schistosoma mansoni fatty acid binding protein 0.0142 0.1139 0.1086
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0245 0.0784
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.1773 0.39
Schistosoma mansoni hypothetical protein 0.0338 0.3064 0.3023
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0142 0.1139 0.3707
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0302 0.2714 0.2711
Schistosoma mansoni fatty acid binding protein 0.0142 0.1139 0.1086
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0042 0.0167
Plasmodium vivax importin-beta 2, putative 0.0032 0.0059 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0333 0.0366
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0149 0.0205
Echinococcus granulosus fatty acid binding protein FABP2 0.0142 0.1139 0.2457
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0059 0.0054
Trypanosoma brucei unspecified product 0.0302 0.2714 0.2711
Giardia lamblia Ribonuclease H 0.0279 0.2482 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.1773 0.229
Loa Loa (eye worm) hypothetical protein 0.006 0.0333 0.1074
Echinococcus multilocularis chromobox protein 1 0.0075 0.0489 0.0575
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0366 0.0411
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0163 0.0373
Loa Loa (eye worm) hypothetical protein 0.0032 0.0059 0.0177
Brugia malayi RNase H family protein 0.0279 0.2482 0.981
Trypanosoma brucei ribonuclease H1 0.0279 0.2482 0.2478
Loa Loa (eye worm) hypothetical protein 0.0042 0.0163 0.0519
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0489 0.1933
Echinococcus multilocularis neuropeptide s receptor 0.0479 0.4454 0.5872
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0366 0.0699
Leishmania major hypothetical protein, conserved 0.0026 0.0005 0.0019
Trypanosoma brucei RNA helicase, putative 0.1044 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0005 0.0019
Loa Loa (eye worm) glutaminase 0.0283 0.253 0.8254
Brugia malayi RNase H family protein 0.0279 0.2482 0.981
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0163 0.0646
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0333 0.0276
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0262 0.0204
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0489 0.1583
Trypanosoma brucei ingi protein (ORF1) 0.0302 0.2714 0.2711
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0333 0.1301
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0262 0.0271
Brugia malayi RNA, U transporter 1 0.009 0.0631 0.2482
Schistosoma mansoni hypothetical protein 0.0041 0.0149 0.0091
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0059 0.0218
Echinococcus granulosus chromobox protein 1 0.0075 0.0489 0.0979
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0262 0.0271
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0262 0.0841
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0366 0.1475

Activities

Activity type Activity value Assay description Source Reference
Activity rating (functional) = 0 % Antihypertensive activity in conscious spontaneously hypertensive rats 2 h following 50 mg/kg p.o.; No significant reduction. ChEMBL. 6827558
Activity rating (functional) = 0 % Antihypertensive activity in conscious spontaneously hypertensive rats 10 h following 50 mg/kg p.o.; No significant reduction. ChEMBL. 6827558
Activity rating (functional) = 0 % Antihypertensive activity in conscious spontaneously hypertensive rats 24 h following 50 mg/kg p.o.; No significant reduction. ChEMBL. 6827558
Decrease (functional) = 16 % Maximum percent decrease in blood pressure in SHR ( hour post dose in parentheses) ChEMBL. 6827558

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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