Detailed information for compound 701503

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.383 | Formula: C20H19N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)C(=O)Nc1cc2CCC(=O)N3c2c(c1)CC3
  • InChi: 1S/C20H19N3O3/c1-12-2-5-15(6-3-12)21-19(25)20(26)22-16-10-13-4-7-17(24)23-9-8-14(11-16)18(13)23/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,21,25)(H,22,26)
  • InChiKey: NVYLTQOCRDWFES-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
Brugia malayi TAR-binding protein 0.0128 0.3391 0.695
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.4087 0.401
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3391 0.7172
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0179 0.522 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.4677 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0179 0.522 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0353 0.0227
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.4879 1
Schistosoma mansoni lipoxygenase 0.0116 0.2951 0.6204
Trichomonas vaginalis hypothetical protein 0.0179 0.522 1
Toxoplasma gondii hypothetical protein 0.005 0.0585 0.0896
Schistosoma mansoni lipoxygenase 0.0081 0.1694 0.3441
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0129 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0489 0.079
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3391 0.695
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0179 0.522 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3391 0.695
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0489 0.1001
Onchocerca volvulus 0.0098 0.2305 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0129 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0489 0.0756
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4087 0.401
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.4879 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0129 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3391 0.7172
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0699 0.0577
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.3187 0.6533
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0179 0.522 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.4879 1
Echinococcus granulosus tar DNA binding protein 0.0128 0.3391 0.6867
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0353 0.0227
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3391 0.7172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0489 0.1001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0489 0.079
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0311 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 1 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0179 0.522 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.4677 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0489 0.0756
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.2951 0.594
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3391 0.695
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0353 0.0227
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.4879 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0179 0.522 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.2951 0.594
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3391 0.6867
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.4879 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.3391 0.695
Schistosoma mansoni alpha-glucosidase 0.0146 0.4029 0.8574
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3391 0.7172
Plasmodium falciparum enoyl-acyl carrier reductase 0.0179 0.522 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.3187 0.6533
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0489 0.0756
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0489 0.0756
Echinococcus granulosus geminin 0.0164 0.4677 0.9576
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0129 0.0265
Schistosoma mansoni alpha-glucosidase 0.0146 0.4029 0.8574
Echinococcus multilocularis geminin 0.0164 0.4677 0.9576
Brugia malayi MH2 domain containing protein 0.0122 0.3187 0.6533
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0179 0.522 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4087 0.401
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0489 0.079
Brugia malayi RNA binding protein 0.0128 0.3391 0.695
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3391 0.7172
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0353 0.0227

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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