Detailed information for compound 1087124

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.453 | Formula: C22H25N3O2
  • H donors: 2 H acceptors: 1 LogP: 2.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCC(=O)N1CCc2c(C1c1cccc(c1)OC)[nH]c1c2cc(cc1)C
  • InChi: 1S/C22H25N3O2/c1-14-6-7-19-18(12-14)17-9-11-25(20(26)8-10-23)22(21(17)24-19)15-4-3-5-16(13-15)27-2/h3-7,12-13,22,24H,8-11,23H2,1-2H3
  • InChiKey: CFHJUORMGKOVCS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460

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 glutathione reductase 0.0052 0.1025 0.1544
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0564 0.085
Brugia malayi Thioredoxin reductase 0.0052 0.1025 0.1544
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0258 0.2517
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.033 0.0498
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0318 0.0461
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0182 0.0827
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.1025 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0258 0.0389
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0132 0.2826 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0318 0.0479
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0318 0.0461
Schistosoma mansoni glutaminase 0.0301 0.6634 0.6634
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.033 0.0479
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0318 0.1449
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0258 0.1175
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0258 0.1175
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0318 0.029
Schistosoma mansoni cpg binding protein 0.0032 0.0564 0.0564
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0028 0.0028
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Schistosoma mansoni kinesin eg-5 0.0032 0.0575 0.0575
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.033 0.1504
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.015 0.0226
Loa Loa (eye worm) hypothetical protein 0.0021 0.033 0.0498
Giardia lamblia Kinesin-5 0.0032 0.0575 0.2621
Leishmania major DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0318 0.1449
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0258 0.1175
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.2195 0.2173
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0318 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.033 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0258 0.037
Echinococcus granulosus dna polymerase eta 0.0021 0.033 0.0303
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1012 0.1508
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0318 0.1449
Echinococcus granulosus geminin 0.0187 0.4056 0.4039
Plasmodium falciparum glutathione reductase 0.0018 0.0258 0.2517
Entamoeba histolytica kinesin, putative 0.0032 0.0575 0.1371
Plasmodium falciparum glutathione reductase 0.0052 0.1025 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0258 0.0389
Loa Loa (eye worm) glutathione reductase 0.0052 0.1025 0.1544
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0258 0.023
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0318 0.0479
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.033 0.0065
Echinococcus multilocularis geminin 0.0187 0.4056 0.4039
Giardia lamblia DINP protein human, muc B family 0.0021 0.033 0.1504
Schistosoma mansoni hypothetical protein 0.0187 0.4056 0.4056
Trypanosoma brucei unspecified product 0.0021 0.033 0.1504
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.2195 0.3309
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.033 0.0479
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.033 0.0498
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2195 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.033 0.1504
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0258 0.0258
Trypanosoma brucei unspecified product 0.0015 0.0182 0.0827
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0258 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1012 0.1508
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0575 0.4789
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0182 0.0827
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0318 0.1449
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0258 0.023
Loa Loa (eye worm) histone methyltransferase 0.001 0.0072 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Leishmania major trypanothione reductase 0.0052 0.1025 0.4668
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0575 0.0867
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.2195 0.3309
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0258 0.1175
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0258 0.0389
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0258 0.1175
Schistosoma mansoni DNA polymerase eta 0.0021 0.033 0.033
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Schistosoma mansoni hypothetical protein 0.0215 0.47 0.47
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0318 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0318 0.3104
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0182 0.0827
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0258 0.2147
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0072 0.0044
Schistosoma mansoni hypothetical protein 0.0187 0.4056 0.4056
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.033 0.0498
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0258 0.2517
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.033 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Toxoplasma gondii exonuclease III APE 0.0021 0.0318 0.2647
Plasmodium falciparum thioredoxin reductase 0.0018 0.0258 0.2517
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.033 0.0498
Trypanosoma brucei unspecified product 0.0015 0.0182 0.0827
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.033 0.0498
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.1025 0.1544
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.2528 0.8837
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0072 0.0044
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0258 0.1175
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0132 0.2826 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.033 0.033
Echinococcus multilocularis kinesin family 1 0.0247 0.5424 0.5411
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.2195 1
Plasmodium falciparum kinesin-5 0.0032 0.0575 0.5615
Toxoplasma gondii thioredoxin reductase 0.0052 0.1025 0.8528
Schistosoma mansoni ap endonuclease 0.0021 0.0318 0.0318
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0258 0.1175
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.033 0.1504
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.2528 0.8837
Mycobacterium ulcerans glutaminase 0.0301 0.6634 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.033 0.0303
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.2528 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Trypanosoma brucei polo-like protein kinase 0.0104 0.2195 1
Trypanosoma brucei trypanothione reductase 0.0052 0.1025 0.4668
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0258 0.2517
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.2195 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0258 0.1175
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0069 0.0104
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.033 0.0281
Plasmodium falciparum thioredoxin reductase 0.0052 0.1025 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.2195 0.2195
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1363 0.1363
Brugia malayi glutaminase DH11.1 0.0301 0.6634 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0258 0.1175
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.2826 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0318 0.1449
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.033 0.1504
Echinococcus granulosus kinesin family 1 0.0247 0.5424 0.5411
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0318 0.0234
Echinococcus multilocularis dna polymerase kappa 0.0021 0.033 0.0303
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Loa Loa (eye worm) glutaminase 0.0301 0.6634 1
Schistosoma mansoni hypothetical protein 0.0451 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0258 0.2147
Loa Loa (eye worm) glutaminase 2 0.0301 0.6634 1
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.1025 0.4668
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2195 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.033 0.0281
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0318 0.0479
Echinococcus granulosus dna polymerase kappa 0.0021 0.033 0.0303
Plasmodium vivax kinesin-5 0.0032 0.0575 0.5615
Brugia malayi CXXC zinc finger family protein 0.0032 0.0564 0.085
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.033 0.0303
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0318 0.3104
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0575 0.0867
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.015 0.0226
Giardia lamblia Kinase, PLK 0.0104 0.2195 1
Schistosoma mansoni ap endonuclease 0.0021 0.0318 0.0318
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0258 0.037
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2195 0.3296
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.033 0.1504
Echinococcus multilocularis dna polymerase eta 0.0021 0.033 0.0303
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.2195 0.2173
Schistosoma mansoni cpg binding protein 0.0033 0.0605 0.0605
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.2528 0.8837
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.033 0.1504
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.2528 0.8837
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.2195 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.1025 0.2985
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Echinococcus multilocularis dnaJ subfamily B 0.0451 1 1
Mycobacterium tuberculosis Probable reductase 0.0119 0.2528 0.8837
Schistosoma mansoni kinase 0.0053 0.1043 0.1043
Echinococcus multilocularis cpg binding protein 0.0033 0.0605 0.0578
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0258 0.2517
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1201 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0132 0.2826 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0258 0.1175
Schistosoma mansoni cpg binding protein 0.0033 0.0605 0.0605
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.1025 0.0999
Plasmodium vivax glutathione reductase, putative 0.0052 0.1025 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.1025 0.0999
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0318 1
Echinococcus granulosus cpg binding protein 0.0033 0.0605 0.0578
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0258 0.1175
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0258 0.0389
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.033 0.1504
Leishmania major DNA polymerase eta, putative 0.0021 0.033 0.1504
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.033 0.033
Trichomonas vaginalis glutaminase, putative 0.0301 0.6634 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11 uM Inhibition of EG5 after 2 hrs ChEMBL. 19945875

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

1 literature reference was collected for this gene.

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