Detailed information for compound 1700319

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.94 | Formula: C20H23ClN4O3S
  • H donors: 2 H acceptors: 3 LogP: 3.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC1CCNCC1)S(=O)(=O)n1cc(c2c1ncc(c2)Cl)C
  • InChi: 1S/C20H23ClN4O3S/c1-13-12-25(20-17(13)9-14(21)11-23-20)29(26,27)16-3-4-19(28-2)18(10-16)24-15-5-7-22-8-6-15/h3-4,9-12,15,22,24H,5-8H2,1-2H3
  • InChiKey: PHGXNVBAVWUXHN-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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.046 0.4307
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0204 0.1639
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0596 0.6992 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0189 0.214 1
Giardia lamblia Kinase, PLK 0.0099 0.1067 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0472 0.4241
Loa Loa (eye worm) hypothetical protein 0.0189 0.214 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.046 0.4307
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0596 0.6992 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.1067 1
Schistosoma mansoni kinase 0.005 0.0488 0.4572
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0204 0.1639
Loa Loa (eye worm) hypothetical protein 0.0026 0.0204 0.0951
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.1067 1
Brugia malayi hypothetical protein 0.0026 0.0204 0.0951
Schistosoma mansoni tsg101-related 0.0061 0.0611 0.5729
Brugia malayi hypothetical protein 0.0158 0.1773 0.8286
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.046 0.2147
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1067 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.046 0.4307
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.1067 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.1067 0.1067
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0204 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0204 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0204 0.1639
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.1067 1
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0472 0.4241
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.1067 0.4986
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0023 0.0167 0.1281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.046 0.046
Onchocerca volvulus 0.0158 0.1773 0.8286
Brugia malayi N-terminal motif family protein 0.0189 0.214 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.1067 0.4986
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0073 0.0756 0.0756
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0023 0.0167 0.1281
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.003 0.003
Schistosoma mansoni tsg101-related 0.0061 0.0611 0.5729
Mycobacterium leprae Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0596 0.6992 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.046 0.2147
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.1067 0.4986
Trichomonas vaginalis hypothetical protein 0.0035 0.0312 0.2685
Schistosoma mansoni tsg101-related 0.0049 0.0479 0.4489
Brugia malayi hypothetical protein 0.0073 0.0756 0.3534
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1067 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0204 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.046 0.4307
Schistosoma mansoni hypothetical protein 0.0012 0.003 0.0283
Brugia malayi hypothetical protein 0.0017 0.0092 0.043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.046 0.4307
Loa Loa (eye worm) hypothetical protein 0.0073 0.0756 0.3534
Leishmania major hypothetical protein, conserved 0.0026 0.0204 0.0411
Loa Loa (eye worm) hypothetical protein 0.0158 0.1773 0.8286
Trypanosoma brucei polo-like protein kinase 0.0099 0.1067 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0204 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1067 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.003 0.0283
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0049 0.0479 0.4306
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0073 0.0756 0.7088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.046 0.046

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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