Detailed information for compound 1783043

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.213 | Formula: C16H13Cl2N5O
  • H donors: 2 H acceptors: 3 LogP: 4.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)NC(=O)c1nnn(c1N)c1ccccc1C
  • InChi: 1S/C16H13Cl2N5O/c1-9-4-2-3-5-13(9)23-15(19)14(21-22-23)16(24)20-12-7-6-10(17)8-11(12)18/h2-8H,19H2,1H3,(H,20,24)
  • InChiKey: GYGFOHPIPQIPRL-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
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0032
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.00000034704 0.0000013322
Brugia malayi nuclear receptor NHR-88 0.0022 0.0127 0.0458
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0231 0.2479 0.8978
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0127 0.0168
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0127 0.0168
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0123 0.0163
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0127 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0127 0.0458
Brugia malayi manba-prov protein 0.0079 0.0762 0.2759
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0127 0.0127
Entamoeba histolytica hypothetical protein 0.004 0.0326 0.1896
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0000044167 0.0000044167
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0127 0.09
Entamoeba histolytica hypothetical protein 0.0088 0.0869 0.505
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0127 0.0168
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0127 0.09
Schistosoma mansoni lipoxygenase 0.0022 0.0123 0.0163
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Onchocerca volvulus 0.0022 0.0123 0.0876
Plasmodium falciparum multidrug resistance protein 1 0.0011 0.0000044167 0.0003
Brugia malayi Beta-glucuronidase precursor 0.0225 0.2405 0.8711
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0127 0.0168
Brugia malayi hypothetical protein 0.0012 0.0009 0.0032
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.0123 0.0163
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0061 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0022 0.0123 0.0446
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.0869 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0127 0.0458
Schistosoma mansoni multidrug resistance protein 0.0011 0.0000044167 0.0000058538
Loa Loa (eye worm) beta-glucuronidase 0.0225 0.2405 0.8711
Loa Loa (eye worm) hypothetical protein 0.0022 0.0123 0.0446
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0088 0.0869 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0127 0.0458
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0127 0.0458
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0009 0.0012
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.00000034704 0.0000013322
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0127 0.0127
Onchocerca volvulus 0.0022 0.0127 0.09
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0231 0.2479 0.8978
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Entamoeba histolytica hypothetical protein 0.004 0.0326 0.1896
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0127 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0127 0.0458
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0011 0.0000044167 0.5
Schistosoma mansoni multidrug resistance protein 0.0011 0.0000044167 0.0000058538
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0032
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0328 0.3776
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0009 0.0009
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0000044167 0.0000058538
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0009 0.0012
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0127 0.0168
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0328 0.1907
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0127 0.0168
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.0123 1
Brugia malayi nuclear receptor RXR 0.0012 0.0009 0.0032
Schistosoma mansoni hypothetical protein 0.0085 0.0836 0.1107
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0328 0.3776
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0127 0.0458
Schistosoma mansoni loxhd1 0.0022 0.0123 0.0163
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0011 0.0000044167 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0127 0.0127
Brugia malayi hypothetical protein 0.0012 0.0009 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0127 0.0458
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0127 0.0127
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0328 1
Schistosoma mansoni rab6-interacting 0.0022 0.0123 0.0163
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0009 0.0032
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0328 0.3776
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Entamoeba histolytica hypothetical protein 0.004 0.0326 0.1896
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0127 0.0458
Entamoeba histolytica beta-galactosidase, putative 0.0164 0.172 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0000044167 0.0000044167
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0127 0.0127
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0000044167 0.0000058538
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0032
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0088 0.0869 0.3147
Brugia malayi hypothetical protein 0.0136 0.1406 0.5094
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0000044167 0.0000058538
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0127 0.0458
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0000044167 0.0000044167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0127 0.0458
Loa Loa (eye worm) hypothetical protein 0.0256 0.2761 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0032
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0328 0.0435
Plasmodium vivax multidomain scavenger receptor, putative 0.0022 0.0123 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0088 0.0869 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0127 0.0168
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0127 0.0168
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0000044167 0.0000058538
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.00000034704 0.0786
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0127 0.0458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0127 0.0127
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0326 0.0432
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0326 0.0432
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.00000034704 0.0000013322
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0328 0.0435
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0000044167 0.0000058538
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0328 0.0435
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0 0.5
Schistosoma mansoni beta-mannosidase 0.0079 0.0762 0.101
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0127 0.0458
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0022 0.0123 0.0163
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0123 0.0123
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0127 0.0168
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0328 0.0328
Entamoeba histolytica protein kinase domain containing protein 0.0088 0.0869 0.505
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0328 0.0328
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0465 0.1685
Schistosoma mansoni survival motor neuron protein 0.0052 0.0465 0.0617
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0127 0.0458
Onchocerca volvulus Huntingtin homolog 0.0136 0.1406 1
Echinococcus granulosus RUN 0.0022 0.0123 0.0163
Plasmodium vivax multidrug resistance protein 1, putative 0.0011 0.0000044167 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0328 0.1259
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0127 0.0168
Echinococcus multilocularis microtubule associated protein 2 0.0682 0.7545 0.7545
Trichomonas vaginalis beta-mannosidase, putative 0.0079 0.0762 0.2924
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0328 0.1188
Onchocerca volvulus Huntingtin homolog 0.0136 0.1406 1
Schistosoma mansoni lipoxygenase 0.0061 0.0566 0.0751
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0127 0.0458
Loa Loa (eye worm) hypothetical protein 0.0088 0.0864 0.3128
Brugia malayi hypothetical protein 0.0022 0.0123 0.0446
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0127 0.0168
Brugia malayi hypothetical protein 0.0256 0.2761 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0127 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0127 0.0458
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.0032
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0127 0.0168
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0326 0.0326
Entamoeba histolytica hypothetical protein 0.004 0.0326 0.1896
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0328 0.0328
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.00000034704 0.00000034704
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0328 0.1259
Brugia malayi hypothetical protein 0.004 0.0326 0.1182
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0127 0.0127
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0127 0.0168
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0127 0.0168
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.00000034704 0.0000020173
Schistosoma mansoni rab6-interacting 0.0022 0.0123 0.0163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0127 0.0458
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0127 0.0168
Echinococcus multilocularis dual specificity 0.0088 0.0869 0.0869
Brugia malayi hypothetical protein 0.0022 0.0123 0.0446
Entamoeba histolytica protein kinase, putative 0.0088 0.0869 0.505
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0127 0.0458
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0127 0.0127
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0061 0.0566 0.0751
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0328 0.3776
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0011 0.0000044167 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0000044167 0.0000058538
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0869 0.1151
Onchocerca volvulus 0.0052 0.0465 0.3308
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.2761 0.3659
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0123 0.0163
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0000044167 0.0000058538
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0127 0.0458
Schistosoma mansoni hypothetical protein 0.004 0.0326 0.0432
Loa Loa (eye worm) hypothetical protein 0.004 0.0328 0.1188
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.0123 0.0123
Entamoeba histolytica protein kinase, putative 0.0088 0.0869 0.505
Brugia malayi Doublecortin family protein 0.0022 0.0123 0.0446
Echinococcus multilocularis RUN 0.0022 0.0123 0.0123
Schistosoma mansoni microtubule-associated protein tau 0.0682 0.7545 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0864 0.3128
Onchocerca volvulus 0.0022 0.0123 0.0876
Echinococcus granulosus dual specificity 0.0088 0.0869 0.1151
Schistosoma mansoni hypothetical protein 0.0052 0.0465 0.0617
Trichomonas vaginalis beta-galactosidase, putative 0.0243 0.2605 1
Echinococcus granulosus microtubule associated protein 2 0.0682 0.7545 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0328 0.0435
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0000044167 0.0000044167
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0127 0.0458
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.2761 0.2761
Schistosoma mansoni multidrug resistance protein 0.0011 0.0000044167 0.0000058538
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0127 0.0168
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0127 0.0168
Brugia malayi steroid hormone receptor 0.0022 0.0127 0.0458
Brugia malayi nuclear hormone receptor 0.0022 0.0127 0.0458
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0123 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0243 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.152 0.5506
Schistosoma mansoni smdr2 0.0011 0.0000044167 0.0000058538
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0127 0.0168
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0 0.5
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0328 0.0435
Schistosoma mansoni coup transcription factor 0.0022 0.0127 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0127 0.0458
Brugia malayi Protein kinase domain containing protein 0.0088 0.0869 0.3147
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0000044167 0.0000044167
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0458
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0000044167 0.0000044167
Echinococcus granulosus replication factor c subunit 1 0.0011 0.00000034704 0.00000045996
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0000044167 0.0000044167
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.00000034704 0.00000045996
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.0032
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0127 0.0168
Schistosoma mansoni polycystin 1-related 0.0022 0.0123 0.0163
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0009 0.0012
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0011 0.0000044167 1
Brugia malayi ecdysteroid receptor 0.0022 0.0127 0.0458
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0127 0.09
Loa Loa (eye worm) hypothetical protein 0.0136 0.1406 0.5094
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0123 0.0123
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0328 0.1259
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0127 0.0458
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0127 0.0458
Treponema pallidum DNA ligase (lig) 0.0011 0 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.0869 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0243 0.2605 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0127 0.0168
Loa Loa (eye worm) hypothetical protein 0.0136 0.1406 0.5094

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 60.87 % Cytotoxicity against human T47D cells assessed as cell growth at 10'-5 M after 48 hrs by SRB assay 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.

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