Detailed information for compound 1158872

Basic information

Technical information
  • TDR Targets ID: 1158872
  • Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl ]-2-phenylcyclopropane-1-carboxamide
  • MW: 407.548 | Formula: C25H33N3O2
  • H donors: 1 H acceptors: 1 LogP: 3.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)CCCCNC(=O)C1CC1c1ccccc1
  • InChi: 1S/C25H33N3O2/c1-30-24-12-6-5-11-23(24)28-17-15-27(16-18-28)14-8-7-13-26-25(29)22-19-21(22)20-9-3-2-4-10-20/h2-6,9-12,21-22H,7-8,13-19H2,1H3,(H,26,29)
  • InChiKey: PTPSBYOWELRFJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-phenyl-cyclopropane-1-carboxamide
  • N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-phenyl-1-cyclopropanecarboxamide

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 multilocularis dna polymerase kappa 0.0067 0.1599 0.2752
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0067 0.1599 0.2752
Leishmania major T-complex protein 1, beta subunit, putative 0.0028 0.0299 0.1106
Schistosoma mansoni hypothetical protein 0.0034 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.004 0.0712 0.0712
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0533 0.1969
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0035 0.0533 0.0682
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0067 0.1599 0.2047
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.091 0.3366
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0028 0.0299 0.1106
Giardia lamblia NADH oxidase lateral transfer candidate 0.0035 0.0533 0.3332
Trypanosoma brucei DNA damage repair protein, putative 0.0021 0.0069 0.0256
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.091 0.3366
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0069 0.0256
Schistosoma mansoni jumonji domain containing protein 0.0089 0.2343 0.2343
Giardia lamblia DINP protein human, muc B family 0.0067 0.1599 1
Giardia lamblia TCP-1 chaperonin subunit beta 0.0028 0.0299 0.1871
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Trypanosoma brucei DNA polymerase IV, putative 0.0067 0.1599 0.5911
Trypanosoma brucei unspecified product 0.0046 0.091 0.3366
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1328 0.1362
Trypanosoma brucei trypanothione reductase 0.01 0.2704 1
Trichomonas vaginalis mercuric reductase, putative 0.0035 0.0533 0.0546
Brugia malayi Thioredoxin reductase 0.01 0.2704 0.2774
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0533 0.1969
Mycobacterium ulcerans DNA polymerase IV 0.0067 0.1599 0.164
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0253 0.7808 1
Schistosoma mansoni glutaminase 0.0311 0.975 0.975
Trypanosoma brucei DNA polymerase eta, putative 0.0096 0.2565 0.9483
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0067 0.1599 0.164
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.1035 0.3828
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0097 0.2606 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Toxoplasma gondii ImpB/MucB/SamB family protein 0.005 0.1035 0.3828
Trypanosoma cruzi DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Echinococcus granulosus dna polymerase kappa 0.0067 0.1599 0.2752
Loa Loa (eye worm) hypothetical protein 0.0097 0.2606 0.2673
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0533 0.0533
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0227 0.0233
Plasmodium falciparum T-complex protein 1 subunit beta 0.0028 0.0299 0.1106
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0021 0.0069 0.0256
Loa Loa (eye worm) hypothetical protein 0.0096 0.2565 0.2631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1328 0.1362
Mycobacterium tuberculosis Probable oxidoreductase 0.0253 0.7808 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0533 0.1969
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Plasmodium falciparum thioredoxin reductase 0.0035 0.0533 0.1969
Loa Loa (eye worm) thioredoxin reductase 0.01 0.2704 0.2774
Leishmania major DNA polymerase kappa, putative 0.0021 0.0069 0.0256
Treponema pallidum NADH oxidase 0.0035 0.0533 1
Schistosoma mansoni DNA polymerase eta 0.0096 0.2565 0.2565
Mycobacterium ulcerans hypothetical protein 0.0021 0.0069 0.0071
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Echinococcus multilocularis dna polymerase eta 0.0096 0.2565 0.4416
Brugia malayi jmjC domain containing protein 0.0112 0.311 0.3189
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.311 0.5354
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0519 0.192
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0299 0.0307
Trypanosoma cruzi DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0253 0.7808 1
Plasmodium vivax glutathione reductase, putative 0.01 0.2704 1
Trypanosoma brucei DNA polymerase IV, putative 0.0067 0.1599 0.5911
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0069 0.0256
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0069 0.0256
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0228 0.6962 0.8917
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0519 0.0894
Brugia malayi MH2 domain containing protein 0.0118 0.3311 0.3396
Schistosoma mansoni terminal deoxycytidyl transferase 0.0067 0.1599 0.1599
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0533 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0759 0.0759
Trypanosoma cruzi DNA polymerase eta, putative 0.0096 0.2565 0.9483
Mycobacterium ulcerans DNA polymerase IV 0.0067 0.1599 0.164
Plasmodium vivax DNA repair protein REV1, putative 0.0021 0.0069 0.0256
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0533 1
Plasmodium falciparum phd finger protein, putative 0.0034 0.0519 0.192
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Loa Loa (eye worm) glutaminase 2 0.0311 0.975 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0069 0.0256
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3311 0.3396
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0253 0.7808 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Loa Loa (eye worm) hypothetical protein 0.0059 0.1333 0.1367
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0519 0.0519
Leishmania major DNA damage repair protein, putative 0.0021 0.0069 0.0256
Schistosoma mansoni hypothetical protein 0.0193 0.5808 0.5808
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0028 0.0299 0.1106
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0965 0.1662
Mycobacterium tuberculosis Probable reductase 0.0228 0.6962 0.8917
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0533 0.1969
Echinococcus granulosus dna polymerase eta 0.0096 0.2565 0.4416
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0067 0.1599 0.164
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0533 0.1969
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0028 0.0299 0.0307
Loa Loa (eye worm) hypothetical protein 0.0021 0.0069 0.0071
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0533 0.1969
Trypanosoma brucei chrX additional, unordered contigs 0.0021 0.0069 0.0256
Echinococcus multilocularis geminin 0.0193 0.5808 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0533 0.0917
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0759 0.1307
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0533 0.0546
Loa Loa (eye worm) hypothetical protein 0.0034 0.0519 0.0533
Echinococcus multilocularis thioredoxin glutathione reductase 0.01 0.2724 0.469
Plasmodium vivax thioredoxin reductase, putative 0.01 0.2704 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0299 0.0299
Echinococcus granulosus geminin 0.0193 0.5808 1
Plasmodium falciparum thioredoxin reductase 0.01 0.2704 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0035 0.0533 0.0546
Trypanosoma brucei DNA damage repair protein, putative 0.0021 0.0069 0.0256
Plasmodium falciparum glutathione reductase 0.0035 0.0533 0.1969
Mycobacterium ulcerans glutaminase 0.0311 0.975 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0533 0.1969
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0712 0.073
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0759 0.0759
Brugia malayi ImpB/MucB/SamB family protein 0.0096 0.2565 0.2631
Trichomonas vaginalis chaperonin, putative 0.0028 0.0299 0.0307
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0035 0.0533 0.0546
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0533 0.1969
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.01 0.2704 0.3464
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0028 0.0299 0.1148
Loa Loa (eye worm) hypothetical protein 0.004 0.0712 0.073
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0965 0.1662
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0028 0.0299 0.0515
Toxoplasma gondii t-complex protein beta subunit 0.0028 0.0299 0.1106
Leishmania major trypanothione reductase 0.01 0.2704 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0021 0.0069 0.0256
Trichomonas vaginalis DNA polymerase eta, putative 0.0067 0.1599 0.164
Trypanosoma brucei DNA polymerase IV, putative 0.0067 0.1599 0.5911
Entamoeba histolytica deoxycytidyl transferase, putative 0.0067 0.1599 0.6134
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0533 0.1969
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Schistosoma mansoni DNA polymerase IV / kappa 0.0021 0.0069 0.0069
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0035 0.0533 0.0546
Echinococcus granulosus peregrin 0.0034 0.0519 0.0894
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0533 0.1969
Brugia malayi jmjC domain containing protein 0.0041 0.0759 0.0778
Loa Loa (eye worm) glutathione reductase 0.01 0.2704 0.2774
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0533 0.1969
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0533 0.1969
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0533 0.0917
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0533 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0067 0.1599 0.1599
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0067 0.1599 0.5911
Trypanosoma cruzi DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Schistosoma mansoni hypothetical protein 0.0193 0.5808 0.5808
Trichomonas vaginalis glutaminase, putative 0.0311 0.975 1
Echinococcus granulosus thioredoxin glutathione reductase 0.01 0.2724 0.469
Trichomonas vaginalis glutathione reductase, putative 0.0035 0.0533 0.0546
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0097 0.2606 1
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0069 0.0256
Brugia malayi glutathione reductase 0.01 0.2704 0.2774
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0228 0.6962 0.8917
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0519 0.192
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0759 0.1307
Giardia lamblia DNA damage repair protein 0.0021 0.0069 0.0433
Trypanosoma brucei DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0299 0.0299
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0519 0.0533
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0519 0.0894
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.1599 0.164
Brugia malayi glutaminase DH11.1 0.0311 0.975 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0533 0.1969
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0028 0.0299 0.1106
Trypanosoma brucei unspecified product 0.0046 0.091 0.3366
Loa Loa (eye worm) hypothetical protein 0.0058 0.1328 0.1362
Leishmania major DNA polymerase kappa, putative 0.0067 0.1599 0.5911
Giardia lamblia PHD finger protein 15 0.0034 0.0519 0.3249
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0028 0.0299 0.0515
Mycobacterium tuberculosis Probable dehydrogenase 0.0228 0.6962 0.8917
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0299 0.0299
Brugia malayi PHD-finger family protein 0.0034 0.0519 0.0533
Loa Loa (eye worm) T-complex protein 1 0.0028 0.0299 0.0307
Toxoplasma gondii thioredoxin reductase 0.01 0.2704 1
Loa Loa (eye worm) glutaminase 0.0311 0.975 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0067 0.1599 0.2752
Trypanosoma brucei unspecified product 0.0067 0.1599 0.5911
Brugia malayi polk-prov protein 0.0021 0.0069 0.0071
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0533 0.1969
Leishmania major DNA polymerase eta, putative 0.0096 0.2565 0.9483
Trypanosoma cruzi DNA damage repair protein, putative 0.0021 0.0069 0.0256
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1732 0.1776
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0533 0.1969
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0228 0.6962 0.8917
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0299 0.0307
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.091 0.3366
Onchocerca volvulus Alhambra homolog 0.0034 0.0519 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0067 0.1599 0.2047
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0069 0.0256
Plasmodium falciparum glutathione reductase 0.01 0.2704 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0228 0.6962 0.8917
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3311 0.3396
Brugia malayi Bromodomain containing protein 0.0034 0.0519 0.0533
Plasmodium falciparum DNA repair protein REV1, putative 0.0021 0.0069 0.0256
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.311 0.5354
Trypanosoma cruzi trypanothione reductase, putative 0.01 0.2704 1
Echinococcus multilocularis peregrin 0.0034 0.0519 0.0894
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0533 0.1969
Trypanosoma cruzi DNA damage repair protein, putative 0.0021 0.0069 0.0256
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0227 0.0233
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0519 0.192
Leishmania major DNA polymerase eta, putative 0.005 0.1035 0.3828
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0759 0.0778
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1328 0.1362

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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