Detailed information for compound 810188

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.457 | Formula: C23H23F2N5O3
  • H donors: 1 H acceptors: 3 LogP: 2.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)C)F
  • InChi: 1S/C23H23F2N5O3/c1-14(26-23(31)17-11-16(24)3-4-18(17)25)22-28-27-21-6-7-29(8-9-30(21)22)12-15-2-5-19-20(10-15)33-13-32-19/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,26,31)
  • InChiKey: SKSFETBFEHHLPF-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 0.0063 0.302 0.2982
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3029 0.2991
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1969 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.126 0.1213
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0244 0.0216
Schistosoma mansoni cpg binding protein 0.003 0.1344 0.1523
Schistosoma mansoni hypothetical protein 0.0063 0.302 0.3421
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1969 0.8272
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0155 0.0175
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.7202 0.8148
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3029 0.3431
Schistosoma mansoni hypothetical protein 0.0177 0.8828 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.302 0.2982
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0155 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3029 0.3431
Schistosoma mansoni zinc finger protein 0.0005 0.0054 0.0062
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.7202 0.8159
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3029 0.3431
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1969 0.2182
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.238 0.5
Echinococcus granulosus cpg binding protein 0.003 0.1344 0.147
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.126 0.1213
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.4578 0.5156
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3029 0.3431
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.302 0.338
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.238 0.5205
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0155 0.0114
Brugia malayi Latrophilin receptor protein 2 0.0063 0.302 0.2982
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.302 0.2982
Echinococcus multilocularis GPCR, family 2 0.0063 0.302 0.338
Onchocerca volvulus 0.0029 0.126 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.4578 0.5156
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.2758 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.238 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3029 0.2991
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 1 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0244 0.0191
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.4578 0.5156
Schistosoma mansoni hypothetical protein 0.0177 0.8828 1
Schistosoma mansoni cpg binding protein 0.0029 0.126 0.1428
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.302 0.338
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.7202 0.7187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4578 0.5186
Loa Loa (eye worm) hypothetical protein 0.0051 0.238 0.2338
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.302 0.338
Schistosoma mansoni hypothetical protein 0.0063 0.302 0.3421
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0155 0.0114
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0155 0.0114
Schistosoma mansoni cpg binding protein 0.003 0.1344 0.1523
Echinococcus granulosus geminin 0.0177 0.8828 1
Brugia malayi RNA binding protein 0.0063 0.3029 0.2991
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.238 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.6769 0.6751
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 1 1
Leishmania major hypothetical protein, conserved 0.0051 0.238 0.5
Schistosoma mansoni hypothetical protein 0.0137 0.6769 0.7668
Schistosoma mansoni hypothetical protein 0.0063 0.302 0.3421
Schistosoma mansoni bromodomain containing protein 0.0005 0.0054 0.0062
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1969 1
Schistosoma mansoni bromodomain containing protein 0.0005 0.0054 0.0062
Schistosoma mansoni hypothetical protein 0.0063 0.302 0.3421
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0951 0.1022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4578 0.5186
Echinococcus granulosus GPCR family 2 0.0063 0.302 0.338
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0951 0.1022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4578 0.5186
Echinococcus multilocularis geminin 0.0177 0.8828 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3029 0.3431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.4578 0.4548
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.6994 0.7911
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3029 0.3391
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3029 0.2991
Loa Loa (eye worm) RNA binding protein 0.0063 0.3029 0.2991
Echinococcus granulosus tar DNA binding protein 0.0063 0.3029 0.3391
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.238 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.291 0.3297
Schistosoma mansoni hypothetical protein 0.0023 0.0951 0.1077
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.238 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0238 0.0185
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.6769 0.6751
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.4578 0.4548
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.4578 0.5156
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0244 0.0216
Brugia malayi TAR-binding protein 0.0063 0.3029 0.2991
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1787 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1787 0.5
Echinococcus multilocularis cpg binding protein 0.003 0.1344 0.147
Loa Loa (eye worm) acetyltransferase 0.0145 0.7202 0.7187
Loa Loa (eye worm) hypothetical protein 0.02 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.302 0.338
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.238 1
Brugia malayi hypothetical protein 0.0033 0.1462 0.1415
Brugia malayi hypothetical protein 0.0051 0.238 0.2338

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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