Detailed information for compound 2070396

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.405 | Formula: C16H18N4OS
  • H donors: 0 H acceptors: 2 LogP: 1.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1OC(Cn2cccn2)CN(C1)Cc1nc2c(s1)cccc2
  • InChi: 1S/C16H18N4OS/c1-2-5-15-14(4-1)18-16(22-15)12-19-8-9-21-13(10-19)11-20-7-3-6-17-20/h1-7,13H,8-12H2
  • InChiKey: DCVMMLDZPBKPES-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) nuclear hormone receptor family member nhr-49 0.0018 0.0001 0.0005
Brugia malayi steroid hormone receptor 0.0018 0.0001 0.0005
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0024 0.0089
Leishmania major eukaryotic initiation factor 4a, putative 0.0077 0.0327 0.0689
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0067 0.0065
Plasmodium falciparum importin beta, putative 0.0029 0.0067 0.1418
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0001 0.0005
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0067 0.0098
Schistosoma mansoni ran 0.0022 0.0024 0.0031
Echinococcus granulosus eukaryotic initiation factor 4A 0.0077 0.0327 0.0326
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0084 0.0316
Onchocerca volvulus 0.0033 0.0084 0.0555
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0101 0.0099
Plasmodium vivax importin-beta 2, putative 0.0029 0.0067 0.1418
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0077 0.0327 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Schistosoma mansoni hypothetical protein 0.0036 0.0101 0.0137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0421 0.0419
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0001 0.0005
Brugia malayi nuclear hormone receptor 0.0018 0.0001 0.0005
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0077 0.0327 0.0326
Echinococcus multilocularis hedgehog 0.1824 1 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0427 0.2265 0.5085
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0001 0.0005
Echinococcus multilocularis GPCR, family 2 0.0036 0.0101 0.0099
Loa Loa (eye worm) hypothetical protein 0.0032 0.008 0.0304
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0421 0.0419
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.1646 0.622
Loa Loa (eye worm) hypothetical protein 0.0399 0.211 0.7976
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0316
Entamoeba histolytica hypothetical protein 0.0037 0.0107 0.2748
Brugia malayi RNA, U transporter 1 0.0084 0.0368 0.1389
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0107 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0001 0.0005
Brugia malayi Hint module family protein 0.0495 0.2646 1
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.2537 0.2536
Brugia malayi hypothetical protein 0.0037 0.0107 0.0405
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0421 0.159
Plasmodium vivax RNA helicase-1, putative 0.0077 0.0327 1
Schistosoma mansoni hypothetical protein 0.0036 0.0101 0.0137
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0036 0.0028
Plasmodium falciparum eukaryotic initiation factor 4A 0.0077 0.0327 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0001 0.0005
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0077 0.0327 0.0449
Echinococcus granulosus intermediate filament protein 0.0033 0.0084 0.0082
Schistosoma mansoni importin beta-1 0.0029 0.0067 0.009
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0024 0.0022
Echinococcus granulosus geminin 0.0558 0.2992 0.2991
Echinococcus granulosus lamin 0.0033 0.0084 0.0082
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.0526 0.199
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0077 0.0327 0.0689
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0101 0.0099
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.2537 0.2536
Loa Loa (eye worm) hypothetical protein 0.0029 0.0067 0.0252
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0001 0.0005
Echinococcus multilocularis geminin 0.0558 0.2992 0.2991
Onchocerca volvulus 0.0033 0.0084 0.0555
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0421 0.159
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0077 0.0327 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0329 0.1245
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0001 0.0005
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0024 0.0022
Schistosoma mansoni lamin 0.0033 0.0084 0.0114
Brugia malayi eukaryotic initiation factor 4A 0.0077 0.0327 0.1238
Echinococcus granulosus lamin dm0 0.0033 0.0084 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0101 0.0137
Schistosoma mansoni lamin 0.0033 0.0084 0.0114
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0101 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0001 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0001 0.0005
Entamoeba histolytica hypothetical protein 0.0024 0.0036 0.0402
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0036 0.0402
Leishmania major sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0077 0.0327 1
Schistosoma mansoni ran 0.0022 0.0024 0.0031
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0399 0.211 0.7976
Loa Loa (eye worm) hypothetical protein 0.0495 0.2646 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0001 0.0005
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0077 0.0327 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0036 0.0402
Schistosoma mansoni hypothetical protein 0.0558 0.2992 0.4121
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0036 0.0402
Treponema pallidum ATP-dependent RNA helicase 0.0077 0.0327 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0421 0.0419
Loa Loa (eye worm) hypothetical protein 0.0077 0.0327 0.1238
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0101 0.0099
Entamoeba histolytica hypothetical protein 0.0037 0.0107 0.2748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0001 0.0005
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.2537 0.2536
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0077 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.1486 0.5617
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Schistosoma mansoni intermediate filament proteins 0.0033 0.0084 0.0114
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0001 0.0005
Schistosoma mansoni hypothetical protein 0.0062 0.0249 0.0342
Brugia malayi intermediate filament protein 0.0033 0.0084 0.0316
Schistosoma mansoni hypothetical protein 0.0036 0.0101 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0001 0.0005
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0024 0.0089
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0067 0.0098
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0077 0.0327 0.0326
Leishmania major sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0001 0.0005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.0526 0.199
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0077 0.0327 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0067 0.1418
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0077 0.0329 0.1245
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0001 0.0005
Schistosoma mansoni hypothetical protein 0.0558 0.2992 0.4121
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0421 0.0578
Entamoeba histolytica hypothetical protein 0.0037 0.0107 0.2748
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0421 0.0419
Loa Loa (eye worm) hypothetical protein 0.0113 0.0526 0.199
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0077 0.0327 0.0449
Echinococcus multilocularis lamin 0.0033 0.0084 0.0082
Echinococcus multilocularis lamin dm0 0.0033 0.0084 0.0082
Echinococcus granulosus importin subunit beta 1 0.0029 0.0067 0.0065
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0107 0.0106
Loa Loa (eye worm) hypothetical protein 0.0036 0.0101 0.038
Echinococcus granulosus snurportin 1 0.0315 0.1646 0.1645
Loa Loa (eye worm) hypothetical protein 0.0495 0.2646 1
Echinococcus multilocularis musashi 0.0033 0.0084 0.0082
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0077 0.0327 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0077 0.0327 0.0689
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0107 0.0106
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0077 0.0327 0.2196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0001 0.0005
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0084 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0421 0.0578
Brugia malayi nuclear receptor NHR-88 0.0018 0.0001 0.0005
Entamoeba histolytica hypothetical protein 0.0037 0.0107 0.2748
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0101 0.038
Onchocerca volvulus Bile acid receptor homolog 0.0286 0.1486 1
Echinococcus multilocularis snurportin 1 0.0315 0.1646 0.1645
Schistosoma mansoni hypothetical protein 0.1329 0.7258 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.0526 0.199
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Schistosoma mansoni hypothetical protein 0.0077 0.0329 0.0452
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0084 0.0316
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0101 0.038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0421 0.0578
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0001 0.0005
Brugia malayi Importin beta-1 subunit 0.0029 0.0067 0.0252
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0001 0.0005
Leishmania major eukaryotic initiation factor 4a, putative 0.0077 0.0327 0.0689
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0818 0.4432 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0001 0.0005
Trypanosoma brucei Sterol methyltransferase, putative 0.0818 0.4432 1
Brugia malayi Hint module family protein 0.0495 0.2646 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0001 0.0005
Brugia malayi ecdysteroid receptor 0.0286 0.1486 0.5617
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0001 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0001 0.0005
Leishmania major importin beta-1 subunit, putative 0.0024 0.0036 0.0028
Echinococcus granulosus GPCR family 2 0.0036 0.0101 0.0099
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0101 0.038
Schistosoma mansoni hypothetical protein 0.0037 0.0107 0.0146
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0077 0.0327 0.0689
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0077 0.0327 0.0326
Schistosoma mansoni hypothetical protein 0.0315 0.1646 0.2266
Echinococcus granulosus neuropeptide s receptor 0.0476 0.2537 0.2536

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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