Detailed information for compound 1145832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.535 | Formula: C26H30FN3
  • H donors: 0 H acceptors: 0 LogP: 5.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1=CCc2c(N=C1N1CCN(CC1)C1CCCCC1)cccc2
  • InChi: 1S/C26H30FN3/c27-22-13-10-20(11-14-22)24-15-12-21-6-4-5-9-25(21)28-26(24)30-18-16-29(17-19-30)23-7-2-1-3-8-23/h4-6,9-11,13-15,23H,1-3,7-8,12,16-19H2
  • InChiKey: CQLUWTNFMFJQRG-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
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0006 0.0015 0.0098
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.1547 0.5128
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0607 0.1981
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0008 0.006 0.0389
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0367 0.2369
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0348 0.1115
Plasmodium vivax importin-beta 2, putative 0.0034 0.0787 1
Echinococcus granulosus mitogen activated protein kinase 0.0061 0.1547 0.1535
Schistosoma mansoni importin-beta 2 0.0006 0.0015 0.0015
Leishmania major GTP-binding protein, putative 0.0025 0.0536 0.3462
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Brugia malayi Importin beta-1 subunit 0.0034 0.0787 0.2621
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0844 0.0831
Echinococcus granulosus mitogen activated protein kinase 3 0.0061 0.1547 0.1535
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0015 0.0098
Trichomonas vaginalis AGC family protein kinase 0.0112 0.3003 1
Leishmania major hypothetical protein, conserved 0.0006 0.0015 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0202 0.1303
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0367 0.1221
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3003 0.3003
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0367 0.0367
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0844 0.0844
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1317 0.1317
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0536 0.3462
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0787 0.5087
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1317 0.4384
Leishmania major importin beta-1 subunit, putative 0.0027 0.0607 0.3923
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0061 0.1547 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0607 0.1981
Trypanosoma brucei protein kinase, putative 0.0061 0.1547 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0536 0.3462
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0844 0.0831
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0367 0.0367
Brugia malayi RNA, U transporter 1 0.0096 0.2543 0.8467
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0367 1
Echinococcus granulosus importin subunit beta 1 0.0034 0.0787 0.0773
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0607 0.1981
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0844 0.5457
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0844 0.0831
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0787 0.0773
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0348 0.0334
Trichomonas vaginalis AGC family protein kinase 0.0112 0.3003 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0787 0.5087
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0015 0.0015
Toxoplasma gondii exonuclease III APE 0.0018 0.0348 0.2251
Brugia malayi phosphoinositide-dependent protein kinase I 0.0112 0.3003 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1317 0.1304
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0348 0.2251
Trichomonas vaginalis ran, putative 0.0025 0.0536 0.1743
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Echinococcus multilocularis mitogen activated protein kinase 0.0061 0.1547 0.1535
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0536 0.3462
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0061 0.1547 0.1547
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.036 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0348 0.4425
Echinococcus multilocularis mitogen activated protein kinase 3 0.0061 0.1547 0.1535
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0348 0.1115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1317 0.1304
Leishmania major DNA polymerase eta, putative 0.0019 0.0367 0.2369
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.1547 0.1547
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0348 0.2251
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0348 0.0334
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0348 0.0348
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0536 0.3462
Giardia lamblia DINP protein human, muc B family 0.0019 0.0367 0.2369
Schistosoma mansoni DNA polymerase eta 0.0019 0.0367 0.0367
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0844 0.5457
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.1547 0.5128
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0061 0.1547 1
Entamoeba histolytica Ran family GTPase 0.0025 0.0536 0.1743
Plasmodium falciparum importin beta, putative 0.0034 0.0787 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0536 0.0536
Brugia malayi kap beta 3 protein 0.0006 0.0015 0.005
Schistosoma mansoni ran 0.0025 0.0536 0.0536
Trypanosoma brucei unspecified product 0.0013 0.0202 0.1303
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0844 0.5457
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0367 0.1176
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0348 0.4425
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0367 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1317 0.1304
Schistosoma mansoni hypothetical protein 0.036 1 1
Plasmodium falciparum transportin 0.0006 0.0015 0.0192
Schistosoma mansoni ap endonuclease 0.0018 0.0348 0.0348
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0844 0.2775
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0061 0.1547 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0112 0.3003 0.2993
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0536 0.0521
Trypanosoma brucei unspecified product 0.0019 0.0367 0.2369
Entamoeba histolytica protein kinase, putative 0.0112 0.3003 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1317 0.1317
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0112 0.3003 0.3003
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0844 0.0831
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0202 0.1303
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0061 0.1547 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0536 0.1784
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0348 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0348 0.116
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0844 0.0831
Echinococcus multilocularis snurportin 1 0.036 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0367 0.0352
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0348 0.1115
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Loa Loa (eye worm) hypothetical protein 0.0036 0.0844 0.0844
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0367 0.0352
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0348 0.2251
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0367 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0367 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0367 0.1221
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0844 0.2775
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0844 0.2775
Schistosoma mansoni ap endonuclease 0.0018 0.0348 0.0348
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0367 0.0367
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0367 0.2369
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0844 0.0831
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0367 0.0352
Loa Loa (eye worm) hypothetical protein 0.0019 0.0367 0.0367
Echinococcus multilocularis dna polymerase eta 0.0019 0.0367 0.0352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1317 0.1317
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0367 0.2369
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0061 0.1547 1
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.1547 0.5128
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0348 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.1547 0.5128
Entamoeba histolytica hypothetical protein 0.0027 0.0607 0.1981
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0607 0.3923
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0844 0.0844
Giardia lamblia Kinase, CMGC MAPK 0.0061 0.1547 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0536 0.0521
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0844 0.2775
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0536 0.3462
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1317 0.1317
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0112 0.3003 0.2993
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0367 0.2369
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1317 0.1304
Loa Loa (eye worm) hypothetical protein 0.0034 0.0787 0.0787
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0348 0.2251
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0844 0.5457
Brugia malayi Protein kinase domain containing protein 0.0112 0.3003 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0061 0.1547 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0844 0.5457
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0015 0.0098
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0367 0.0352
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0348 0.2251
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0536 0.6806
Trichomonas vaginalis AGC family protein kinase 0.0112 0.3003 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.1547 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0844 0.2812
Echinococcus granulosus dna polymerase eta 0.0019 0.0367 0.0352
Brugia malayi MAP kinase sur-1 0.0061 0.1547 0.5153
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.1547 1
Schistosoma mansoni importin beta-1 0.0034 0.0787 0.0787
Trypanosoma brucei unspecified product 0.0013 0.0202 0.1303
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0367 0.1176
Plasmodium vivax transportin, putative 0.0006 0.0015 0.0192
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0015 0.0015
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0367 0.1176
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0348 0.9503
Schistosoma mansoni ran 0.0025 0.0536 0.0536
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0202 0.1303
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0787 0.5087
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0367 0.2369
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0536 0.6806
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0367 0.2369
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0112 0.3003 0.3003
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0367 0.2369

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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