Detailed information for compound 1331006

Basic information

Technical information
  • TDR Targets ID: 1331006
  • Name: 3-(2-fluorophenyl)-1-[1-[[1-[(4-fluorophenyl) methyl]tetrazol-5-yl]methyl]piperidin-4-yl]ur ea
  • MW: 427.45 | Formula: C21H23F2N7O
  • H donors: 2 H acceptors: 4 LogP: 2.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)NC1CCN(CC1)Cc1nnnn1Cc1ccc(cc1)F
  • InChi: 1S/C21H23F2N7O/c22-16-7-5-15(6-8-16)13-30-20(26-27-28-30)14-29-11-9-17(10-12-29)24-21(31)25-19-4-2-1-3-18(19)23/h1-8,17H,9-14H2,(H2,24,25,31)
  • InChiKey: PIHLSLLZDWGGBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-fluorophenyl)-1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-piperidyl]urea
  • 3-(2-fluorophenyl)-1-[1-[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]urea
  • 1-[1-[[1-(4-fluorobenzyl)tetrazol-5-yl]methyl]-4-piperidyl]-3-(2-fluorophenyl)urea
  • 3-(2-fluorophenyl)-1-[1-[[1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]methyl]piperidin-4-yl]urea
  • ASN 06469559
  • 1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
  • MLS000034065
  • SMR000006751

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0459 0.321 0.3142
Echinococcus multilocularis ornithine aminotransferase 0.0066 0.0282 0.0447
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0264 0.0403
Brugia malayi MH1 domain containing protein 0.0052 0.0172 0.0075
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0064 0.0264 0.0403
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 0.0413
Loa Loa (eye worm) TAR-binding protein 0.0592 0.4204 0.4146
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0066 0.0282 0.0447
Echinococcus multilocularis mothers against decapentaplegic 5 0.0093 0.0483 0.0937
Trypanosoma brucei PAB1-binding protein , putative 0.0107 0.0585 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0066 0.0282 0.0292
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0466 0.3265 1
Schistosoma mansoni hypothetical protein 0.0314 0.2127 0.4941
Schistosoma mansoni tar DNA-binding protein 0.0592 0.4204 1
Schistosoma mansoni hypothetical protein 0.0048 0.0145 0.0114
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0066 0.0282 0.0185
Loa Loa (eye worm) RNA binding protein 0.0592 0.4204 0.4146
Plasmodium vivax ataxin-2 like protein, putative 0.0107 0.0585 1
Echinococcus granulosus GPCR family 2 0.0145 0.087 0.188
Schistosoma mansoni hypothetical protein 0.0145 0.087 0.188
Loa Loa (eye worm) MH1 domain-containing protein 0.0093 0.0483 0.0389
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0064 0.0264 0.0403
Brugia malayi hypothetical protein 0.0107 0.0585 0.0491
Brugia malayi Smad1 0.0093 0.0483 0.0389
Brugia malayi MH1 domain containing protein 0.0093 0.0483 0.0389
Loa Loa (eye worm) transcription factor SMAD2 0.1369 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0064 0.0264 0.4511
Giardia lamblia DNA repair protein RAD52 0.0343 0.235 0.5
Brugia malayi Probable ClpP-like protease 0.0083 0.0405 0.031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0145 0.087 0.188
Brugia malayi latrophilin 2 splice variant baaae 0.0314 0.2127 0.2049
Schistosoma mansoni smad1 5 8 and 0.0093 0.0483 0.0937
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0066 0.0282 0.0863
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0066 0.0282 0.0292
Brugia malayi MH1 domain containing protein 0.0093 0.0483 0.0389
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0145 0.087 0.188
Schistosoma mansoni hypothetical protein 0.0145 0.087 0.188
Schistosoma mansoni Smad4 0.0093 0.0483 0.0937
Loa Loa (eye worm) nuclear factor I 0.0052 0.0172 0.0075
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0093 0.0483 0.0937
Loa Loa (eye worm) MH2 domain-containing protein 0.1369 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.0405 0.0747
Loa Loa (eye worm) hypothetical protein 0.0083 0.0405 0.031
Schistosoma mansoni tar DNA-binding protein 0.0592 0.4204 1
Echinococcus granulosus Aminotransferase class III 0.0066 0.0282 0.0447
Leishmania major hypothetical protein, conserved 0.0107 0.0585 1
Schistosoma mansoni tar DNA-binding protein 0.0592 0.4204 1
Brugia malayi RNA binding protein 0.0592 0.4204 0.4146
Echinococcus granulosus smad 0.0093 0.0483 0.0937
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0066 0.0282 0.0292
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.0405 0.0747
Echinococcus granulosus Smad4 0.0093 0.0483 0.0937
Schistosoma mansoni tar DNA-binding protein 0.0592 0.4204 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0064 0.0264 0.0167
Echinococcus granulosus ornithine aminotransferase 0.0066 0.0282 0.0447
Schistosoma mansoni hypothetical protein 0.0145 0.087 0.188
Brugia malayi Latrophilin receptor protein 2 0.0145 0.087 0.078
Loa Loa (eye worm) latrophilin receptor protein 2 0.0145 0.087 0.078
Plasmodium falciparum ornithine aminotransferase 0.0066 0.0282 0.4817
Brugia malayi Calcitonin receptor-like protein seb-1 0.0459 0.321 0.3142
Brugia malayi N-terminal motif family protein 0.0206 0.1322 0.1236
Schistosoma mansoni smad1 5 8 and 0.0093 0.0483 0.0937
Toxoplasma gondii LsmAD domain-containing protein 0.0107 0.0585 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0592 0.4204 0.4146
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 1
Echinococcus granulosus tar DNA binding protein 0.0592 0.4204 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.1322 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.0405 0.124
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0264 0.0403
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0066 0.0282 0.0863
Plasmodium vivax ornithine aminotransferase, putative 0.0066 0.0282 0.4817
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0048 0.0145 0.0114
Echinococcus multilocularis tar DNA binding protein 0.0592 0.4204 1
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0264 0.4511
Brugia malayi hypothetical protein 0.0069 0.0302 0.0206
Echinococcus granulosus mothers against decapentaplegic 5 0.0093 0.0483 0.0937
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.0405 0.0747
Loa Loa (eye worm) hypothetical protein 0.0206 0.1322 0.1236
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0405 0.6923
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0264 0.0403
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0066 0.0282 0.4817
Echinococcus multilocularis ornithine aminotransferase 0.0066 0.0282 0.0447
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0585 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0145 0.087 0.078
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0466 0.3265 1
Loa Loa (eye worm) Smad1 0.0093 0.0483 0.0389
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0145 0.087 0.188
Brugia malayi MH2 domain containing protein 0.0093 0.0483 0.0389
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0466 0.3265 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0585 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0172 0.0075
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0585 1
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0192 0.0228
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0459 0.321 0.3142
Schistosoma mansoni smad 0.0093 0.0483 0.0937
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 0.6923
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0405 0.6923
Echinococcus multilocularis Aminotransferase class III 0.0066 0.0282 0.0447
Loa Loa (eye worm) hypothetical protein 0.0314 0.2127 0.2049
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0064 0.0264 0.4511
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0405 0.6923
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0466 0.3265 0.5
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0066 0.0282 0.0863
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.087 0.078
Loa Loa (eye worm) MH2 domain-containing protein 0.0093 0.0483 0.0389
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0064 0.0264 0.0403
Mycobacterium ulcerans hypothetical protein 0.0466 0.3265 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0192 0.0228
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0343 0.235 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0093 0.0483 0.0937
Echinococcus multilocularis smad 0.0093 0.0483 0.0937
Echinococcus granulosus TGF beta signal transducer SmadC 0.0093 0.0483 0.0937
Loa Loa (eye worm) hypothetical protein 0.0107 0.0585 0.0491
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0064 0.0264 0.0233
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 1
Loa Loa (eye worm) hypothetical protein 0.0459 0.321 0.3142
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0192 0.0588
Schistosoma mansoni hypothetical protein 0.0145 0.087 0.188
Brugia malayi isocitrate dehydrogenase 0.0064 0.0264 0.0167
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0264 0.4511
Echinococcus multilocularis isocitrate dehydrogenase 0.0064 0.0264 0.0403
Echinococcus multilocularis Smad4 0.0093 0.0483 0.0937
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0145 0.087 0.188
Schistosoma mansoni smad1 5 8 and 0.0093 0.0483 0.0937
Echinococcus multilocularis GPCR, family 2 0.0145 0.087 0.188
Brugia malayi Isocitrate dehydrogenase 0.0064 0.0264 0.0167
Mycobacterium tuberculosis Probable aminotransferase 0.0466 0.3265 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0066 0.0282 0.0292
Schistosoma mansoni tar DNA-binding protein 0.0592 0.4204 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0048 0.0145 0.0114
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0405 0.0413
Brugia malayi MH2 domain containing protein 0.0093 0.0483 0.0389
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0585 1
Brugia malayi TAR-binding protein 0.0592 0.4204 0.4146
Brugia malayi RNA recognition motif domain containing protein 0.0592 0.4204 0.4146
Brugia malayi MH1 domain containing protein 0.0052 0.0172 0.0075

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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