Detailed information for compound 1152635

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.373 | Formula: C19H19N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C19H19N3O2/c20-18(11-15-12-21-13-22-15)19(23)10-14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,20H2,(H,21,22)/t18-/m0/s1
  • InChiKey: JTQPXXKJUZCLKU-SFHVURJKSA-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 multilocularis ubiquitin conjugating enzyme E2 N 0.036 0.8753 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0339 0.0339
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0985 0.1125
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0189
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0339 0.0339
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.041 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0331 0.0055
Echinococcus granulosus snurportin 1 0.0307 0.7413 0.8468
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0644 0.0736
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.036 0.8753 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0029 0.0466 0.0466
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.041 1 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.041 1 1
Brugia malayi RNA, U transporter 1 0.0082 0.179 0.179
Brugia malayi hypothetical protein 0.0036 0.0644 0.0644
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0339 0.0152
Entamoeba histolytica protein tyrosine phosphatase, putative 0.041 1 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0339 0.0152
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0339 0.0152
Entamoeba histolytica hypothetical protein 0.0036 0.0644 0.0378
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0339 0.0152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0339 0.0176
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0277 0.0277
Onchocerca volvulus 0.041 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0985 0.1125
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0339 0.0152
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.036 0.8753 0.8718
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.041 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0339 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.041 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0644 0.0378
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0644 0.0736
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0189 0.0024
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0339 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0985 0.1125
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.041 1 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0466 0.0323
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0339 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0985 0.1125
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.036 0.8753 0.8753
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0189 0.5
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.036 0.8753 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0189
Schistosoma mansoni ran 0.0021 0.0277 0.0316
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.036 0.8753 0.8718
Plasmodium falciparum importin beta, putative 0.0029 0.0466 0.0323
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0466 0.0224
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0466 0.0224
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0189
Trypanosoma brucei ubiquitin-protein ligase, putative 0.036 0.8753 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.036 0.8753 0.8718
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0644 0.0736
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.036 0.8753 0.8753
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0024 0.0339 0.0339
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0339 0.0152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0985 0.1125
Entamoeba histolytica hypothetical protein 0.0036 0.0644 0.0378
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.036 0.8753 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0985 0.0985
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0339 0.0073
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.036 0.8753 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0339 0.0152
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.041 1 1
Echinococcus multilocularis snurportin 1 0.0307 0.7413 0.8468
Echinococcus granulosus importin subunit beta 1 0.0029 0.0466 0.0533
Brugia malayi ubiquitin conjugating enzyme protein 13 0.036 0.8753 0.8753
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.041 1 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0331 0.0063
Loa Loa (eye worm) hypothetical protein 0.0024 0.0339 0.0339
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0466 0.0224
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0277 0.0102
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0339 0.0152
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.7413 0.7413
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.036 0.8753 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.041 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0339 0.0073
Entamoeba histolytica hypothetical protein 0.0023 0.0331 0.0055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0985 0.0985
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0277 0.0316
Loa Loa (eye worm) hypothetical protein 0.0024 0.0339 0.0339
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0277 0.0102
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.036 0.8753 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0339 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0985 0.1125
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0189
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.036 0.8753 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0339 0.0176
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0339 0.0064
Brugia malayi Importin beta-1 subunit 0.0029 0.0466 0.0466
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.036 0.8753 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0331 0.0063
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.041 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.0644 0.0736
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0331 0.0055
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0331 0.0055
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.036 0.8753 0.8753
Schistosoma mansoni ran 0.0021 0.0277 0.0316
Entamoeba histolytica hypothetical protein 0.0036 0.0644 0.0378
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0277 0.0316
Schistosoma mansoni importin beta-1 0.0029 0.0466 0.0533
Onchocerca volvulus 0.0024 0.0339 0.0339
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0985 0.1125
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0466 0.0533
Entamoeba histolytica protein tyrosine phosphatase, putative 0.041 1 1
Schistosoma mansoni hypothetical protein 0.0307 0.7413 0.8468
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0339 0.0073

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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