Detailed information for compound 1315252

Basic information

Technical information
  • TDR Targets ID: 1315252
  • Name: 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine
  • MW: 306.365 | Formula: C17H18N6
  • H donors: 0 H acceptors: 3 LogP: 3.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)N1CCN(CC1)c1nnnn1c1ccccc1
  • InChi: 1S/C17H18N6/c1-3-7-15(8-4-1)21-11-13-22(14-12-21)17-18-19-20-23(17)16-9-5-2-6-10-16/h1-10H,11-14H2
  • InChiKey: MLKOOYZIYKTZDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-phenyl-4-(1-phenyl-5-tetrazolyl)piperazine
  • 1-phenyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine
  • MLS000113812
  • SMR000109704
  • 1-Phenyl-4-(1-phenyl-1H-tetrazol-5-yl)-piperazine
  • BAS 09858656
  • 9G-402S
  • ZINC00102184
  • Oprea1_132975

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0173 0.0537 0.0537
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0469 0.2832 0.2832
Toxoplasma gondii target of rapamycin (TOR), putative 0.1036 0.7237 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.2109 0.2109
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0266 0.1256 0.1256
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0203 0.077 0.077
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0266 0.1256 0.1256
Trypanosoma cruzi target of rapamycin kinase 3 0.1108 0.7802 0.7802
Entamoeba histolytica hypothetical protein 0.017 0.0511 0.0511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Loa Loa (eye worm) hypothetical protein 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1256 0.1256
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1108 0.7802 0.7802
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0296 0.1489 0.2057
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0279 0.136 0.136
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.353 0.353
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.019 0.0671 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.8423 0.8423
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0266 0.1256 0.1256
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0123 0.015 0.015
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0123 0.015 0.015
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0469 0.2832 0.2832
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.017 0.0511 0.0511
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.5596 0.5596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.566 0.566
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0123 0.015 0.015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.0671 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Leishmania major phosphatidylinositol 3-kinase, putative 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.1107 0.7793 0.7793
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0173 0.0537 0.0537
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1256 0.1256
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0469 0.2832 0.2832
Loa Loa (eye worm) hypothetical protein 0.0283 0.139 0.139
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.077 0.077
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0159 0.0426 0.0426
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0123 0.015 0.015
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0155 0.0395 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0123 0.015 0.015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Brugia malayi FAT domain containing protein 0.0203 0.077 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.019 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0155 0.0395 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0134 0.0235 0.0235
Loa Loa (eye worm) hypothetical protein 0.0203 0.077 0.077
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0395 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.566 0.566
Schistosoma mansoni hypothetical protein 0.0203 0.077 0.077
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0266 0.1256 0.1256
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.353 0.353
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.058 0.3695 0.3695
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0203 0.077 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.566 0.566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.019 0.0671 0.0671
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.019 0.0671 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.645 0.645
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0279 0.136 0.136
Loa Loa (eye worm) phosphatidylinositol 3 0.0258 0.12 0.12
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0159 0.0426 0.0426
Trichomonas vaginalis PIKK family atypical protein kinase 0.1107 0.7793 0.7793
Echinococcus granulosus serine protein kinase ATM 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Echinococcus multilocularis serine protein kinase ATM 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0123 0.015 0.015
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0113 0.0071 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.5596 0.5596
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0123 0.015 0.015
Schistosoma mansoni fkbp-rapamycin associated protein 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.1107 0.7793 0.7793
Trichomonas vaginalis PIKK family atypical protein kinase 0.1107 0.7793 0.7793
Entamoeba histolytica protein kinase rad3, putative 0.0266 0.1256 0.1256
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.019 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0296 0.1489 0.1489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0904 0.6217 0.6217
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Toxoplasma gondii FATC domain-containing protein 0.0266 0.1256 0.1735
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1108 0.7802 0.7802
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1256 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.1107 0.7793 0.7793
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0123 0.015 0.015
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0138 0.0266 0.0266
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0266 0.1256 0.1256
Trichomonas vaginalis conserved hypothetical protein 0.0296 0.1489 0.1489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.0537 0.0537
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0279 0.136 0.136
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7237 0.7237
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0123 0.015 0.015
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.019 0.0671 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0155 0.0395 0.0395
Entamoeba histolytica hypothetical protein 0.0266 0.1256 0.1256
Echinococcus granulosus neuropeptide s receptor 0.0558 0.353 0.353
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.0537 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.353 0.353
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.066 0.4316 0.4316
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0266 0.1256 0.1256
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Loa Loa (eye worm) phosphatidylinositol 3 0.0469 0.2832 0.2832

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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