Detailed information for compound 1051907

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.833 | Formula: C13H18ClN5OS
  • H donors: 2 H acceptors: 2 LogP: 2.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC/N=C(\Nc1nnc(s1)c1ccccc1C)/N.Cl
  • InChi: 1S/C13H17N5OS.ClH/c1-9-5-3-4-6-10(9)11-17-18-13(20-11)16-12(14)15-7-8-19-2;/h3-6H,7-8H2,1-2H3,(H3,14,15,16,18);1H
  • InChiKey: PKTOPGWGZUAKBH-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
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0312 0.0566
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Loa Loa (eye worm) glutaminase 2 0.0269 0.5505 0.5466
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Plasmodium vivax multidrug resistance protein 1, putative 0.0031 0.0312 0.4178
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0312 0.0312
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0312 0.0312
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0312 0.0312
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0086 0.1147
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0107 0.0194
Trichomonas vaginalis abcb9, putative 0.0031 0.0312 0.0566
Loa Loa (eye worm) multidrug resistance protein 3 0.0031 0.0312 0.0228
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0031 0.0312 0.4178
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0798 0.1314
Schistosoma mansoni hypothetical protein 0.0167 0.3272 0.3214
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0051 0.0746 0.1355
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0031 0.0312 0.4178
Trichomonas vaginalis glutaminase, putative 0.0269 0.5505 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0798 0.0718
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0312 0.0566
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0086 0.1147
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0656 0.0575
Schistosoma mansoni multidrug resistance protein 0.0031 0.0312 0.0228
Schistosoma mansoni hypothetical protein 0.0051 0.0746 0.0666
Brugia malayi glutaminase DH11.1 0.0269 0.5505 1
Brugia malayi multidrug resistance protein 3 0.0031 0.0312 0.0417
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0656 0.0656
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0086 0.1147
Schistosoma mansoni hypothetical protein 0.0051 0.0746 0.0666
Schistosoma mansoni multidrug resistance protein 0.0031 0.0312 0.0228
Schistosoma mansoni glutaminase 0.0269 0.5505 0.5466
Plasmodium falciparum Appr-1-p processing domain protein 0.0051 0.0746 0.0767
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0656 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0312 0.0312
Schistosoma mansoni hypothetical protein 0.0101 0.1843 0.1773
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0312 0.0566
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0312 0.0566
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Brugia malayi Appr-1-p processing enzyme family protein 0.0051 0.0746 0.1219
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0086 0.1147
Echinococcus granulosus geminin 0.0167 0.3272 0.3272
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0312 0.0312
Mycobacterium tuberculosis Possible lipoprotein LppD 0.0051 0.0746 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0798 0.0798
Loa Loa (eye worm) hypothetical protein 0.0054 0.0798 0.0718
Schistosoma mansoni smdr2 0.0031 0.0312 0.0228
Onchocerca volvulus 0.0047 0.0656 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0312 0.0312
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0107 0.0107
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0031 0.0312 0.4178
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0656 0.0656
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0086 0.1147
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0107 0.0107
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0656 0.0575
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0312 0.0312
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0086 0.1147
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0312 0.0566
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0656 0.0575
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0312 0.0312
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0086 0.1147
Echinococcus multilocularis hormone sensitive lipase 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0656 0.0575
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0798 0.0798
Trichomonas vaginalis taga, putative 0.0031 0.0312 0.0566
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0086 0.5
Toxoplasma gondii macro domain-containing protein 0.0051 0.0746 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0463 0.9734 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0475 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0031 0.0312 1
Trypanosoma cruzi Macro domain containing protein, putative 0.0051 0.0746 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis multidrug resistance protein 1 0.0031 0.0312 0.0312
Mycobacterium ulcerans glutaminase 0.0269 0.5505 1
Echinococcus multilocularis geminin 0.0167 0.3272 0.3272
Mycobacterium leprae putative cytochrome p450 0.0021 0.0086 0.5
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0746 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0475 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0051 0.0746 1
Trichomonas vaginalis abcb9, putative 0.0031 0.0312 0.0566
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0086 0.1147
Leishmania major p-glycoprotein 0.0031 0.0312 1
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0051 0.0746 0.1355
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0031 0.0312 0.0228
Plasmodium falciparum multidrug resistance protein 1 0.0031 0.0312 0.032
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0656 0.0656
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0312 0.0566
Brugia malayi mbt repeat family protein 0.0047 0.0656 0.1053
Loa Loa (eye worm) MBCTL1 0.0054 0.0798 0.0718
Schistosoma mansoni hypothetical protein 0.0167 0.3272 0.3214
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0086 0.1147
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0302 0.0302
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0086 0.1147
Echinococcus granulosus MACRO domain containing protein 2 0.0051 0.0746 0.0746
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0086 0.1147
Echinococcus granulosus MACRO domain containing protein 2 0.0051 0.0746 0.0746
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0086 0.0086
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis MACRO domain containing protein 2 0.0051 0.0746 0.0746
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0475 1 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0086 0.1147
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0312 0.0312
Entamoeba histolytica hypothetical protein, conserved 0.0051 0.0746 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0798 0.0798
Loa Loa (eye worm) hypothetical protein 0.0031 0.0312 0.0228
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0086 0.1147
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0086 0.1147
Trypanosoma brucei Macro domain containing protein, putative 0.0051 0.0746 0.3758
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0086 0.1147
Loa Loa (eye worm) glutaminase 0.0269 0.5505 0.5466
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis 0.0021 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0031 0.0312 0.5
Trichomonas vaginalis abcb9, putative 0.0031 0.0312 0.0566
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0656 0.0575
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0312 0.0566
Brugia malayi mbt repeat family protein 0.0047 0.0656 0.1053
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.367 0.367
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Loa Loa (eye worm) hypothetical protein 0.0031 0.0302 0.0218
Giardia lamblia Protein LRP16 0.0051 0.0746 1
Onchocerca volvulus 0.0031 0.0312 0.4752
Schistosoma mansoni multidrug resistance protein 0.0031 0.0312 0.0228
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0312 0.0312
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0798 0.0798
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0312 0.0566
Echinococcus multilocularis MACRO domain containing protein 2 0.0051 0.0746 0.0746
Trypanosoma cruzi Macro domain containing protein, putative 0.0051 0.0746 1
Echinococcus multilocularis multidrug resistance protein 1 0.0031 0.0312 0.0312
Brugia malayi ABC transporter family protein 0.0031 0.0312 0.0417
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.367 0.367
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0051 0.0746 0.1355
Entamoeba histolytica hypothetical protein, conserved 0.0051 0.0746 1
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.0107 0.0107
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0312 0.0312
Schistosoma mansoni hypothetical protein 0.0286 0.5862 0.5826
Mycobacterium ulcerans lipoprotein LppD 0.0051 0.0746 0.1219
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0656 0.0656
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0312 0.0566
Loa Loa (eye worm) hypothetical protein 0.0031 0.0312 0.0228
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0312 0.0312
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0.0312 0.0566
Loa Loa (eye worm) hypothetical protein 0.0051 0.0746 0.0666
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0031 0.0302 0.0302
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0086 0.1147
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0312 0.0566
Trypanosoma brucei RNA helicase, putative 0.0101 0.1843 1

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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