Detailed information for compound 657053

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.521 | Formula: C24H21N5O2S
  • H donors: 2 H acceptors: 4 LogP: 4.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C)NN=Cc1ccc(cc1)O
  • InChi: 1S/C24H21N5O2S/c1-17-7-11-19(12-8-17)23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(31)26-25-15-18-9-13-21(30)14-10-18/h2-15,30H,16H2,1H3,(H,26,31)/b25-15-
  • InChiKey: OAEQECAMIFAQCN-MYYYXRDXSA-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
Chlamydia trachomatis glutamate symporter 0.0367 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0358 0.0358
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.048 0.0127
Echinococcus multilocularis Excitatory amino acid transporter 0.0367 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.084 0.05
Echinococcus granulosus excitatory amino acid transporter 2 0.0367 1 1
Treponema pallidum glutamate/aspartate transporter 0.0163 0.4202 0.5
Plasmodium falciparum phd finger protein, putative 0.0032 0.048 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.0367 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.084 0.05
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0367 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.0367 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0163 0.4202 0.3987
Brugia malayi jmjC domain containing protein 0.0103 0.2512 0.2512
Echinococcus multilocularis muscleblind protein 0.0144 0.3678 0.3444
Loa Loa (eye worm) hypothetical protein 0.0144 0.3678 0.3678
Brugia malayi Muscleblind-like protein 0.0144 0.3678 0.3678
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0367 1 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.048 0.0127
Echinococcus granulosus muscleblind protein 0.0144 0.3678 0.3444
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.048 0.0127
Echinococcus granulosus neutral amino acid transporter A 0.0367 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0367 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.048 0.0127
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0358 0.0358
Echinococcus multilocularis neutral amino acid transporter A 0.0367 1 1
Loa Loa (eye worm) excitatory amino acid transporter 0.0367 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.084 0.084
Schistosoma mansoni jumonji domain containing protein 0.0082 0.1911 0.161
Echinococcus multilocularis peregrin 0.0032 0.048 0.0127
Echinococcus granulosus sodium:dicarboxylate symporter 0.0367 1 1
Echinococcus multilocularis geminin 0.0183 0.4778 0.4584
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0668 0.0321
Echinococcus multilocularis muscleblind protein 1 0.0144 0.3678 0.3444
Echinococcus multilocularis neutral amino acid transporter A 0.0367 1 1
Brugia malayi jmjC domain containing protein 0.0038 0.0668 0.0668
Brugia malayi Bromodomain containing protein 0.0032 0.048 0.048
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0367 1 1
Onchocerca volvulus Alhambra homolog 0.0032 0.048 0.0127
Echinococcus granulosus jumonji domain containing protein 0.0044 0.083 0.0489
Plasmodium vivax hypothetical protein, conserved 0.0032 0.048 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0668 0.0321
Loa Loa (eye worm) hypothetical protein 0.0144 0.3678 0.3678
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.2512 0.2234
Echinococcus granulosus peregrin 0.0032 0.048 0.0127
Echinococcus granulosus geminin 0.0183 0.4778 0.4584
Schistosoma mansoni hypothetical protein 0.0183 0.4778 0.4584
Echinococcus multilocularis excitatory amino acid transporter 3 0.0367 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.048 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0163 0.4202 0.3987
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1431 0.1431
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0032 0.048 0.048
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0358 0.0358
Echinococcus multilocularis Excitatory amino acid transporter 0.0367 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.2512 0.2234
Giardia lamblia PHD finger protein 15 0.0032 0.048 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0367 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.084 0.084
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0163 0.4202 0.3987
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0367 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0027 0.0344 0.0344
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.084 0.05
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.048 0.5
Brugia malayi PHD-finger family protein 0.0032 0.048 0.048
Echinococcus granulosus Excitatory amino acid transporter 0.0367 1 1
Treponema pallidum glutamate transporter 0.0163 0.4202 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.0367 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1118 0.1118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.084 0.05
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.084 0.05
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0668 0.0321
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0367 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0163 0.4202 0.3987
Brugia malayi intermediate filament protein 0.0027 0.0358 0.0358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.084 0.05
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.084 0.05
Echinococcus granulosus neutral amino acid transporter A 0.0367 1 1
Schistosoma mansoni hypothetical protein 0.0183 0.4778 0.4584
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.048 0.048
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0367 1 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0668 0.0321
Echinococcus multilocularis excitatory amino acid transporter 2 0.0367 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.083 0.0489
Echinococcus granulosus neutral amino acid transporter 0.0367 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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