Detailed information for compound 1801788

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.255 | Formula: C18H12Cl4N4O3S2
  • H donors: 2 H acceptors: 3 LogP: 6.35 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NC(=S)Nc1nnc(s1)COc1ccc(cc1Cl)Cl)COc1ccc(cc1Cl)Cl
  • InChi: 1S/C18H12Cl4N4O3S2/c19-9-1-3-13(11(21)5-9)28-7-15(27)23-17(30)24-18-26-25-16(31-18)8-29-14-4-2-10(20)6-12(14)22/h1-6H,7-8H2,(H2,23,24,26,27,30)
  • InChiKey: OUVCTFQOSGKNOZ-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
Echinococcus granulosus ATP binding cassette sub family B 0.0007 0.0002 0.0046
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0444 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0007 0.0002 0.0008
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0045 0.0159
Brugia malayi ABC transporter family protein 0.0007 0.0002 0.0003
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0045 0.0062
Schistosoma mansoni smdr2 0.0023 0.0131 0.2958
Leishmania major cytochrome p450-like protein 0.0012 0.0045 0.0159
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0131 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0023 0.0131 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0444 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0023 0.0131 0.0481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0321 0.7218
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0007 0.0002 0.5
Brugia malayi ABC transporter family protein 0.0007 0.0002 0.0003
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0002 0.0156
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0131 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0131 0.0195
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0023 0.0131 0.2925
Schistosoma mansoni multidrug resistance protein 0.0023 0.0131 0.2958
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0131 0.2958
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0131 1
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0075 0.1678
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Entamoeba histolytica P-glycoprotein-5 0.0023 0.0131 1
Brugia malayi hypothetical protein 0.0007 0.0002 0.0003
Giardia lamblia ABC transporter, putative 0.0007 0.0002 0.0008
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0331 0.269 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0131 0.0195
Brugia malayi P-glycoprotein-like protein 0.0007 0.0002 0.0003
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0007 0.0002 0.0156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0321 0.7218
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0444 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0007 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.0002 0.0064
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0045 0.0964
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0321 0.7218
Leishmania major p-glycoprotein 0.0023 0.0131 0.0481
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0444 1
Schistosoma mansoni multidrug resistance protein 0.0007 0.0002 0.0046
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0045 0.1393
Trichomonas vaginalis abcb9, putative 0.0023 0.0131 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0131 0.0195
Brugia malayi ABC transporter 0.0007 0.0002 0.0003
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0129 0.0192
Trypanosoma brucei telomerase reverse transcriptase 0.0331 0.269 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0129 0.4034
Giardia lamblia Telomerase catalytic subunit 0.0331 0.269 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0007 0.0002 0.0046
Plasmodium falciparum telomerase reverse transcriptase 0.0331 0.269 1
Schistosoma mansoni multidrug resistance protein 0.0007 0.0002 0.0046
Brugia malayi multidrug resistance related protein 1 0.0007 0.0002 0.0003
Loa Loa (eye worm) ABC transporter 0.0007 0.0002 0.0064
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0131 0.0195
Leishmania major telomerase reverse transcriptase, putative 0.0331 0.269 1
Loa Loa (eye worm) ABC transporter 0.0007 0.0002 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0321 0.7218
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0131 1
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0131 0.0195
Entamoeba histolytica P-glycoprotein 6, putative 0.0007 0.0002 0.0156
Loa Loa (eye worm) hypothetical protein 0.0023 0.0131 0.4098
Echinococcus multilocularis multidrug resistance protein 1 0.0016 0.0075 0.0109
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0131 0.0195
Plasmodium vivax telomerase reverse transcriptase, putative 0.0331 0.269 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0321 1
Echinococcus granulosus ATP binding cassette sub family B 0.0007 0.0002 0.0046
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0023 0.0131 0.0481
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Entamoeba histolytica P-glycoprotein-1 0.0023 0.0131 1
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0131 0.2958
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0131 1
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0045 0.0159
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0131 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0045 0.0062
Entamoeba histolytica ABC transporter, putative 0.0007 0.0002 0.0156
Giardia lamblia Multidrug resistance-associated protein 1 0.0007 0.0002 0.0008
Entamoeba histolytica P-glyco protein 6, putative 0.0023 0.0131 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0444 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0023 0.0131 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Brugia malayi multidrug resistance protein 3 0.0023 0.0131 0.0181
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0007 0.0002 0.0064
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0131 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0016 0.0075 0.5674
Trichomonas vaginalis abcb9, putative 0.0023 0.0131 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0131 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0131 0.2958
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0131 0.2958
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0007 0.0002 0.0046
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0131 0.2958
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0131 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0022 0.0129 0.2912
Loa Loa (eye worm) ABC transporter 0.0007 0.0002 0.0064
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0007 0.0002 0.5
Trichomonas vaginalis abcb9, putative 0.0023 0.0131 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0007 0.0002 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0321 0.048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0131 0.4098
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0045 0.0159
Loa Loa (eye worm) hypothetical protein 0.0007 0.0002 0.0064
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0002 0.0156
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0131 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0444 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0131 0.0481
Loa Loa (eye worm) multidrug resistance protein 3 0.0023 0.0131 0.4098
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0131 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0131 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0045 0.1393
Schistosoma mansoni multidrug resistance protein 0.0007 0.0002 0.0046
Schistosoma mansoni multidrug resistance protein 0.0007 0.0002 0.0046
Brugia malayi ABC transporter family protein 0.0023 0.0131 0.0181
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0444 0.0667
Brugia malayi ABC transporter transmembrane region family protein 0.0007 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0009 0.0015 0.0482
Trichomonas vaginalis taga, putative 0.0023 0.0131 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0321 0.0442
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0131 0.2958
Entamoeba histolytica P-glycoprotein 6, putative 0.0007 0.0002 0.0156
Entamoeba histolytica P-glycoprotein 5, putative 0.0023 0.0131 1
Brugia malayi ABC transporter family protein 0.0007 0.0002 0.0003
Entamoeba histolytica hypothetical protein 0.0007 0.0002 0.0156
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0444 0.1645
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0075 0.1678
Echinococcus granulosus multidrug resistance associated protein 7 0.0007 0.0002 0.0046
Toxoplasma gondii RNA-directed DNA polymerase 0.0331 0.269 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0331 0.269 1
Giardia lamblia MRP-like ABC transporter 0.0007 0.0002 0.0008
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0131 1
Brugia malayi Telomerase reverse transcriptase 0.088 0.7253 1
Entamoeba histolytica multidrug resistance protein, putative 0.0007 0.0002 0.0156
Schistosoma mansoni multidrug resistance protein 0.0023 0.0131 0.2958
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0806 0.6634 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0321 0.7218
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0444 0.1645
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0007 0.0002 0.0003
Schistosoma mansoni multidrug resistance protein 0.0007 0.0002 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0321 0.048
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0131 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0023 0.0131 0.4098
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0045 0.1393
Schistosoma mansoni multidrug resistance protein 0.0023 0.0131 0.2958
Plasmodium vivax multidrug resistance protein 1, putative 0.0023 0.0131 0.0481
Schistosoma mansoni smdr1 0.0007 0.0002 0.0046
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0002 0.0156
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0131 0.2958
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0002 0.0156
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0444 1
Brugia malayi ABC transporter transmembrane region family protein 0.0007 0.0002 0.0003
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0131 1
Plasmodium falciparum multidrug resistance protein 1 0.0023 0.0131 0.0481
Loa Loa (eye worm) hypothetical protein 0.0007 0.0002 0.0064
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0131 0.0195

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.
 
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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