Detailed information for compound 1253599

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.996 | Formula: C26H31ClFN3
  • H donors: 0 H acceptors: 2 LogP: 7.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1nc(C)c(c(n1)N1CCc2c(C1C)ccc(c2)C)C)(C)C.Cl
  • InChi: 1S/C26H30FN3.ClH/c1-16-7-12-23-19(4)30(14-13-20(23)15-16)24-17(2)18(3)28-25(29-24)26(5,6)21-8-10-22(27)11-9-21;/h7-12,15,19H,13-14H2,1-6H3;1H
  • InChiKey: LUSCPOQLYXCEIA-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 F/Y-rich N-terminus family protein 0.001 0.0819 0.07
Loa Loa (eye worm) hypothetical protein 0.0021 0.2673 0.3348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.7328 0.7328
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.3431 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3431 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.2673 0.3348
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.7328 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.2673 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.3431 1
Leishmania major hypothetical protein, conserved 0.0026 0.3431 1
Schistosoma mansoni hypothetical protein 0.0012 0.1139 0.1139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Loa Loa (eye worm) histone methyltransferase 0.001 0.0839 0.0728
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.3431 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2673 0.7555
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.3431 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.2673 0.3151
Schistosoma mansoni cpg binding protein 0.0031 0.4331 0.4331
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.2673 1
Schistosoma mansoni cpg binding protein 0.0033 0.4619 0.4619
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Giardia lamblia DINP protein human, muc B family 0.0021 0.2673 1
Trypanosoma brucei unspecified product 0.0021 0.2673 0.7555
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.7328 1
Brugia malayi CXXC zinc finger family protein 0.0031 0.4331 0.5718
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.3431 0.3638
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.2673 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.8854 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.7328 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.7328 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0329 0.0329
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1618 0.4155
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.2673 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Echinococcus granulosus cpg binding protein 0.0033 0.4619 0.6015
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.2673 0.3151
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.1139 0.0894
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.2673 0.2673
Loa Loa (eye worm) hypothetical protein 0.0026 0.3431 0.4432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.7328 0.7328
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.2673 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.2673 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0839 0.0453
Schistosoma mansoni DNA polymerase eta 0.0021 0.2673 0.2673
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.2673 0.3348
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.2673 0.7555
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0839 0.0453
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3431 1
Echinococcus multilocularis cpg binding protein 0.0033 0.4619 0.6015
Leishmania major DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2673 0.7555
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.2673 0.2673
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2673 0.7555
Schistosoma mansoni cpg binding protein 0.0033 0.4619 0.4619
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.2673 0.3348
Echinococcus multilocularis dna polymerase eta 0.0021 0.2673 0.3151
Echinococcus multilocularis dna polymerase kappa 0.0021 0.2673 0.3151
Onchocerca volvulus 0.0031 0.4331 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.2673 0.3151
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2673 0.7555
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.7328 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.7328 0.7328
Trypanosoma brucei unspecified product 0.0015 0.1618 0.4155
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1618 0.4155
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.4331 0.5718
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.7328 1
Leishmania major DNA polymerase eta, putative 0.0021 0.2673 0.7555
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1618 0.4155
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.1139 0.0894
Brugia malayi hypothetical protein 0.0026 0.3431 0.4432
Echinococcus granulosus dna polymerase eta 0.0021 0.2673 0.3151
Brugia malayi hypothetical protein 0.0017 0.1958 0.2327
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.2673 0.7555
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.2673 1
Trypanosoma brucei unspecified product 0.0015 0.1618 0.4155

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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