Detailed information for compound 1572332

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.287 | Formula: C12H13Cl2N3OS2
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc(cc1Cl)Cl)CSC(=S)N1CCCC1
  • InChi: 1S/C12H13Cl2N3OS2/c13-8-5-9(14)11(15-6-8)16-10(18)7-20-12(19)17-3-1-2-4-17/h5-6H,1-4,7H2,(H,15,16,18)
  • InChiKey: NJFRLZDETZEWLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 multilocularis importin subunit beta 1 0.0035 0.059 0.0501
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0028 0.0389 0.7717
Schistosoma mansoni NADPH flavin oxidoreductase 0.0014 0.0006 0.0006
Brugia malayi RNA, U transporter 1 0.0099 0.2383 1
Trypanosoma cruzi p450 reductase, putative 0.0028 0.0389 0.7717
Trichomonas vaginalis sulfite reductase, putative 0.0028 0.0389 0.8407
Plasmodium vivax importin-beta 2, putative 0.0035 0.059 0.1015
Schistosoma mansoni ran 0.0026 0.0333 0.0333
Schistosoma mansoni hypothetical protein 0.0372 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.059 0.0501
Plasmodium falciparum cysteine proteinase falcipain 1 0.0126 0.3142 1
Brugia malayi flavodoxin family protein 0.0028 0.0389 0.129
Plasmodium vivax unspecified product 0.0126 0.3142 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.059 1
Schistosoma mansoni ran 0.0026 0.0333 0.0333
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0333 0.5644
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0333 0.0241
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0028 0.0389 0.7717
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0028 0.0389 0.5
Brugia malayi FAD binding domain containing protein 0.0028 0.0389 0.129
Leishmania major GTP-binding protein, putative 0.0026 0.0333 0.3023
Loa Loa (eye worm) FAD binding domain-containing protein 0.0028 0.0389 0.0298
Plasmodium vivax unspecified product 0.0118 0.2908 0.9176
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0028 0.0389 0.0298
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0406 1
Plasmodium falciparum importin beta, putative 0.0035 0.059 0.0914
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0406 1
Plasmodium falciparum nitric oxide synthase, putative 0.0028 0.0389 0.02
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0017 0.0094 0.0094
Echinococcus multilocularis snurportin 1 0.0372 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0028 0.0389 0.2189
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0333 0.1045
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0028 0.0389 0.0298
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0333 0.0111
Echinococcus granulosus importin subunit beta 1 0.0035 0.059 0.0501
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0406 1
Trichomonas vaginalis ran, putative 0.0026 0.0333 0.3023
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0333 0.0241
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0028 0.0389 0.2189
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0028 0.0389 0.0298
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0028 0.0389 0.2189
Schistosoma mansoni importin beta-1 0.0035 0.059 0.059
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.059 1
Leishmania major p450 reductase, putative 0.0028 0.0389 0.8407
Chlamydia trachomatis sulfite reductase 0.0017 0.0094 0.5
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0333 0.0241
Entamoeba histolytica hypothetical protein 0.0028 0.0406 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0028 0.0389 0.0309
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.059 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0406 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0028 0.0389 0.7717
Plasmodium vivax vivapain-1 0.0126 0.3142 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0028 0.0389 0.8407
Brugia malayi Importin beta-1 subunit 0.0035 0.059 0.2166
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0028 0.0389 0.2189
Schistosoma mansoni cytochrome P450 reductase 0.0028 0.0389 0.0389
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0406 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0028 0.0389 0.0298
Loa Loa (eye worm) hypothetical protein 0.0028 0.0389 0.0298

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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