Detailed information for compound 18213

Basic information

Technical information
  • TDR Targets ID: 18213
  • Name: 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H -imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea
  • MW: 417.436 | Formula: C23H20FN5O2
  • H donors: 3 H acceptors: 4 LogP: 2.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)C(N(C(=O)N)O)C
  • InChi: 1S/C23H20FN5O2/c1-14(29(31)23(25)30)15-2-4-18(5-3-15)22-27-20(16-6-8-19(24)9-7-16)21(28-22)17-10-12-26-13-11-17/h2-14,31H,1H3,(H2,25,30)(H,27,28)
  • InChiKey: JVMAHSCWJIZBJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[1-[4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxy-urea
  • 1-[1-[4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea
  • 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxy-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL No references
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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
Mycobacterium leprae Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1421 0.5528 0.5515
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0053 0.0067 0.0031
Chlamydia trachomatis valine--tRNA ligase 0.0063 0.0105 0.009
Echinococcus granulosus RUN 0.0048 0.0044 0.0072
Giardia lamblia Isoleucyl-tRNA synthetase 0.0178 0.0563 1
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0063 0.0105 0.007
Onchocerca volvulus 0.0063 0.0105 0.2466
Plasmodium vivax threonine--tRNA ligase, putative 0.0053 0.0067 0.059
Schistosoma mansoni valine-tRNA ligase 0.0063 0.0105 0.0915
Brugia malayi AMP-binding enzyme family protein 0.006 0.0093 0.0883
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0178 0.0563 1
Chlamydia trachomatis isoleucine--tRNA ligase 0.0178 0.0563 0.4439
Leishmania major threonyl-tRNA synthetase, putative 0.0061 0.0096 0.1697
Brugia malayi hypothetical protein 0.0048 0.0044 0.0413
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0038 0.0005 0.0081
Mycobacterium ulcerans valyl-tRNA synthetase 0.0063 0.0105 0.0078
Echinococcus granulosus valyl tRNA synthetase 0.0063 0.0105 0.0623
Loa Loa (eye worm) hypothetical protein 0.0287 0.0997 1
Giardia lamblia Valine-tRNA ligase 0.0063 0.0105 0.1866
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0046 0.0036 0.0009
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0152 0.046 0.4592
Giardia lamblia Threonyl-tRNA synthetase 0.0053 0.0067 0.1188
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0063 0.0105 0.0385
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0046 0.0036 0.0314
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0053 0.0067 0.004
Echinococcus multilocularis RUN 0.0048 0.0044 0.0072
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0178 0.0563 0.0537
Treponema pallidum methionyl-tRNA synthetase 0.0302 0.1057 1
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0063 0.0105 0.0078
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0178 0.0563 0.5323
Echinococcus granulosus leucyl tRNA synthetase 0.0084 0.0188 0.1367
Echinococcus granulosus Threonyl tRNA synthetase C 0.0061 0.0096 0.0538
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0044 0.0072
Brugia malayi isoleucyl-tRNA synthetase 0.0178 0.0563 0.5323
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.1421 0.5528 0.5515
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0178 0.0563 1
Plasmodium falciparum valine--tRNA ligase, putative 0.0063 0.0105 0.1315
Loa Loa (eye worm) AMP-binding enzyme family protein 0.006 0.0093 0.0895
Schistosoma mansoni glycyl-tRNA synthetase 0.0165 0.0512 0.4458
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0178 0.0563 1
Plasmodium vivax valine--tRNA ligase, putative 0.0063 0.0105 0.1315
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0109 0.0287 0.477
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0044 0.0394
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0083 0.0187 0.016
Chlamydia trachomatis leucine--tRNA ligase 0.0083 0.0187 0.0866
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.166 0.648 0.648
Schistosoma mansoni threonyl-tRNA synthetase 0.0048 0.0046 0.0403
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0044 0.0072
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0038 0.0005 0.0081
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.06 0.2248 0.2228
Loa Loa (eye worm) hypothetical protein 0.0083 0.0187 0.1835
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0178 0.0563 0.4738
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0061 0.0096 0.0916
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0256 0.0875 0.8769
Schistosoma mansoni isoleucine--tRNA ligase 0.0178 0.0563 0.4901
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0036 0.0342
Treponema pallidum leucyl-tRNA synthetase 0.0083 0.0187 0.121
Mycobacterium ulcerans thioesterase 0.0513 0.1901 0.1879
Onchocerca volvulus 0.0048 0.0044 0.0961
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0178 0.0563 1
Schistosoma mansoni hypothetical protein 0.0048 0.0044 0.038
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.006 0.0093 0.0093
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0063 0.0105 0.1315
Loa Loa (eye worm) hypothetical protein 0.014 0.0412 0.4103
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0104 0.0269 0.0243
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0044 0.0072
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0165 0.0512 0.511
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0178 0.0563 0.5008
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0104 0.0269 0.0269
Schistosoma mansoni polycystin 1-related 0.0048 0.0044 0.038
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.006 0.0093 0.0093
Brugia malayi glycyl-tRNA synthetase 0.0165 0.0512 0.4841
Entamoeba histolytica valyl tRNA synthetase, putative 0.0063 0.0105 0.0385
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0178 0.0563 0.5623
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0061 0.0096 0.1135
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0044 0.0151
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0104 0.0269 0.0243
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0063 0.0105 0.1866
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0061 0.0096 0.1629
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0178 0.0563 0.0537
Toxoplasma gondii valyl-tRNA synthetase 0.0063 0.0105 0.007
Plasmodium falciparum leucine--tRNA ligase, putative 0.0063 0.0105 0.1315
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0038 0.0005 0.0081
Schistosoma mansoni lipoxygenase 0.0199 0.0648 0.5647
Echinococcus multilocularis valyl tRNA synthetase 0.0063 0.0105 0.0623
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0287 0.477
Loa Loa (eye worm) hypothetical protein 0.0063 0.0105 0.1012
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0046 0.0036 0.0036
Echinococcus granulosus glycyl tRNA synthetase 0.0165 0.0512 0.428
Onchocerca volvulus 0.0048 0.0044 0.0961
Echinococcus multilocularis glycyl tRNA synthetase 0.0165 0.0512 0.428
Brugia malayi valyl-tRNA synthetase family protein 0.0063 0.0105 0.0993
Plasmodium falciparum threonine--tRNA ligase 0.0053 0.0067 0.059
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0324 0.1148 1
Leishmania major valyl-tRNA synthetase, putative 0.0063 0.0105 0.1866
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0061 0.0096 0.0904
Toxoplasma gondii pantoate-beta-alanine ligase 0.2542 1 1
Schistosoma mansoni methionine-tRNA synthetase 0.0046 0.0036 0.0311
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.006 0.0093 0.0067
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0053 0.0067 0.0067
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.014 0.0412 0.3381
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.2542 1 1
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0061 0.0096 0.0538
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0063 0.0105 0.0105
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0063 0.0105 0.18
Treponema pallidum isoleucyl-tRNA synthetase 0.0178 0.0563 0.5008
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.06 0.2248 0.2248
Schistosoma mansoni methionine-tRNA synthetase 0.0324 0.1148 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.006 0.0093 0.0067
Treponema pallidum valyl-tRNA synthetase 0.0063 0.0105 0.0385
Schistosoma mansoni leucyl-tRNA synthetase 0.0109 0.0287 0.2501
Loa Loa (eye worm) hypothetical protein 0.0048 0.0044 0.0394
Onchocerca volvulus 0.006 0.0093 0.2181
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0053 0.0067 0.059
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.014 0.0412 0.3381
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0063 0.0105 0.007
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0285 0.0991 0.8583
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0044 0.0072
Schistosoma mansoni rab6-interacting 0.0048 0.0044 0.038
Onchocerca volvulus 0.014 0.0412 1
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0178 0.0563 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0044 0.0151
Toxoplasma gondii tRNA synthetase, putative 0.0063 0.0105 0.007
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0324 0.1148 1
Schistosoma mansoni isoleucine--tRNA ligase 0.0178 0.0563 0.4901
Loa Loa (eye worm) hypothetical protein 0.0178 0.0563 0.5623
Toxoplasma gondii leucyl-tRNA synthetase 0.0063 0.0105 0.007
Echinococcus multilocularis valyl tRNA synthetase 0.0063 0.0105 0.0623
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.2542 1 1
Leishmania major leucyl-tRNA synthetase, putative 0.0109 0.0287 0.5102
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0063 0.0105 0.0385
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0053 0.0067 0.1188
Giardia lamblia Methionyl-tRNA synthetase 0.0046 0.0036 0.0635
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0285 0.0991 0.8583
Schistosoma mansoni lipoxygenase 0.0285 0.0991 0.8627
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.006 0.0093 0.0067
Echinococcus granulosus valyl tRNA synthetase 0.0063 0.0105 0.0623
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0053 0.0067 0.004
Leishmania major methionyl-tRNA synthetase, putative 0.0046 0.0036 0.0635
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0063 0.0105 0.18
Brugia malayi Doublecortin family protein 0.0048 0.0044 0.0413
Onchocerca volvulus 0.006 0.0093 0.2181
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0044 0.0072
Loa Loa (eye worm) hypothetical protein 0.0046 0.0036 0.0319
Loa Loa (eye worm) hypothetical protein 0.0048 0.0044 0.0394
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0302 0.1057 1
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0115 0.0311 0.0311
Giardia lamblia Leucyl-tRNA synthetase 0.0071 0.0136 0.242
Brugia malayi leucyl-tRNA synthetase 0.0063 0.0105 0.0993
Brugia malayi protein ZK524.3 0.0071 0.0136 0.1288
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0063 0.0105 0.1866
Brugia malayi Valyl-tRNA synthetase 0.0063 0.0105 0.0993
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0104 0.0269 0.0243
Schistosoma mansoni valine-tRNA ligase 0.0063 0.0105 0.0915
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0063 0.0105 0.1315
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0178 0.0563 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0044 0.0072
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0061 0.0096 0.1629
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0167 0.052 0.9197
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0104 0.0269 0.4427
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0573 0.2141 0.212
Brugia malayi methionyl-tRNA synthetase 0.0302 0.1057 1
Mycobacterium tuberculosis Possible DNA glycosylase 0.0104 0.0269 0.0269
Brugia malayi methionyl-tRNA synthetase 0.0046 0.0036 0.0338
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1421 0.5528 0.5528
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0046 0.0036 0.0635
Echinococcus multilocularis leucyl tRNA synthetase 0.0063 0.0105 0.0623
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0165 0.0512 0.4841
Wolbachia endosymbiont of Brugia malayi valyl-tRNA synthetase 0.0063 0.0105 0.1315
Chlamydia trachomatis methionine--tRNA ligase 0.0324 0.1148 1
Echinococcus granulosus leucyl tRNA synthetase 0.0063 0.0105 0.0623
Toxoplasma gondii methionyl-tRNA synthetase 0.0061 0.0096 0.006
Leishmania major isoleucyl-tRNA synthetase, putative 0.0178 0.0563 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0046 0.0036 0.0558
Brugia malayi hypothetical protein 0.0048 0.0044 0.0413
Schistosoma mansoni rab6-interacting 0.0048 0.0044 0.038
Loa Loa (eye worm) hypothetical protein 0.0071 0.0136 0.1326
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.006 0.0093 0.0093
Echinococcus multilocularis leucyl tRNA synthetase 0.0109 0.0287 0.226
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0178 0.0563 0.0529
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0046 0.0036 0.0009
Plasmodium falciparum valine--tRNA ligase, putative 0.0063 0.0105 0.1315
Schistosoma mansoni loxhd1 0.0048 0.0044 0.038
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0178 0.0563 0.4738

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.35 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes ChEMBL. No reference
IC50 (functional) = 0.35 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes ChEMBL. No reference
IC50 (binding) = 6.2 uM Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells ChEMBL. No reference
IC50 (binding) = 6.2 uM Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.