Detailed information for compound 1025769

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.895 | Formula: C24H22ClFN2O2
  • H donors: 1 H acceptors: 1 LogP: 5.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN1CCC(C1)Oc1ccc(cc1Cl)NC(=O)c1ccccc1
  • InChi: 1S/C24H22ClFN2O2/c25-22-14-20(27-24(29)18-4-2-1-3-5-18)10-11-23(22)30-21-12-13-28(16-21)15-17-6-8-19(26)9-7-17/h1-11,14,21H,12-13,15-16H2,(H,27,29)
  • InChiKey: LPALHHKDBQZLJJ-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 dna polymerase eta 0.0021 0.0692 0.0692
Echinococcus granulosus tar DNA binding protein 0.0069 0.3423 0.3423
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Brugia malayi RNA binding protein 0.0069 0.3423 0.4963
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0692 1
Schistosoma mansoni DNA polymerase eta 0.0021 0.0692 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2331 0.2331
Echinococcus multilocularis geminin 0.0185 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.2331 0.338
Brugia malayi TAR-binding protein 0.0069 0.3423 0.4963
Loa Loa (eye worm) RNA binding protein 0.0069 0.3423 0.4963
Echinococcus multilocularis tar DNA binding protein 0.0069 0.3423 0.3423
Leishmania major DNA polymerase eta, putative 0.0021 0.0692 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0692 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0692 0.5
Loa Loa (eye worm) TAR-binding protein 0.0069 0.3423 0.4963
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2331 0.2331
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0692 0.0692
Leishmania major DNA polymerase kappa, putative 0.0021 0.0692 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2331 0.2331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2331 0.2331
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3423 0.3423
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.5
Giardia lamblia DINP protein human, muc B family 0.0021 0.0692 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2331 0.2331
Schistosoma mansoni hypothetical protein 0.0185 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.6896 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0692 0.0692
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0692 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0692 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0692 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3423 0.3423
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0692 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0692 0.5
Trypanosoma brucei unspecified product 0.0021 0.0692 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0692 0.0692
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.6896 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0692 0.0692
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.2331 0.338
Schistosoma mansoni hypothetical protein 0.0185 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.3423 0.4963
Loa Loa (eye worm) hypothetical protein 0.0021 0.0692 0.1004
Brugia malayi MH2 domain containing protein 0.013 0.6896 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2331 0.2331
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3423 0.3423
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0692 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0692 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.3423 0.4963
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3423 0.3423
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0692 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3423 0.3423
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2331 0.2331
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0692 0.0692
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0692 0.5

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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