Detailed information for compound 1697624

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.359 | Formula: C19H18N2O
  • H donors: 2 H acceptors: 2 LogP: 3.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c2c1nccc2)CNC1Cc2c(C1)cccc2
  • InChi: 1S/C19H18N2O/c22-18-8-7-15(17-6-3-9-20-19(17)18)12-21-16-10-13-4-1-2-5-14(13)11-16/h1-9,16,21-22H,10-12H2
  • InChiKey: HJHRLMJVQSHPKH-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) hypothetical protein 0.0027 0.4318 0.4318
Echinococcus granulosus lamin dm0 0.0031 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0031 0.5032 0.5032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.2773 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.5159 0.5159
Echinococcus granulosus lamin 0.0031 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0021 0.2773 0.2773
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.2773 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 1 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.4318 1
Echinococcus granulosus intermediate filament protein 0.0031 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0021 0.2773 0.2773
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 1 1
Schistosoma mansoni lamin 0.0031 0.5159 0.5159
Mycobacterium ulcerans hypothetical protein 0.0027 0.4318 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.193 0.193
Loa Loa (eye worm) hypothetical protein 0.0027 0.4318 0.4318
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.5159 0.5159
Echinococcus multilocularis lamin 0.0031 0.5159 0.5159
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.4318 1
Toxoplasma gondii propionate-CoA ligase 0.0008 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.4318 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Onchocerca volvulus 0.0031 0.5159 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.4318 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.5159 0.5159
Brugia malayi AMP-binding enzyme family protein 0.0027 0.4318 0.4318
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.4318 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.4318 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.2524 0.5844
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.2773 0.6421
Loa Loa (eye worm) hypothetical protein 0.0021 0.2773 0.2773
Brugia malayi intermediate filament protein 0.0031 0.5159 0.5159
Schistosoma mansoni intermediate filament proteins 0.0031 0.5159 0.5159
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.4318 1
Echinococcus multilocularis musashi 0.0031 0.5159 0.5159
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.1561 0.1561
Echinococcus multilocularis lamin dm0 0.0031 0.5159 0.5159
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.1561 0.1561
Loa Loa (eye worm) hypothetical protein 0.0014 0.1434 0.1434
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.2773 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2773 0.2773
Brugia malayi AMP-binding enzyme family protein 0.0027 0.4318 0.4318
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.193 0.193
Loa Loa (eye worm) hypothetical protein 0.0027 0.4318 0.4318
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.1561 0.1561
Brugia malayi AMP-binding enzyme family protein 0.0027 0.4318 0.4318
Loa Loa (eye worm) hypothetical protein 0.0014 0.1434 0.1434
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.4318 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.5159 0.5159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.4318 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.4318 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.4318 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.2524 0.5844
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.2524 0.5844
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Schistosoma mansoni lamin 0.0031 0.5159 0.5159
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.4318 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.4318 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.2524 0.5844
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.4318 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.4318 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.4318 1
Onchocerca volvulus 0.0027 0.4318 0.8371
Loa Loa (eye worm) hypothetical protein 0.0021 0.2773 0.2773
Onchocerca volvulus 0.0031 0.5159 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.2773 0.6421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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