Detailed information for compound 726084

Basic information

Technical information
  • TDR Targets ID: 726084
  • Name: 1-[2-(4-fluorophenyl)ethyl]-3-(3-methylphenyl )urea
  • MW: 272.317 | Formula: C16H17FN2O
  • H donors: 2 H acceptors: 1 LogP: 3.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)NCCc1ccc(cc1)F
  • InChi: 1S/C16H17FN2O/c1-12-3-2-4-15(11-12)19-16(20)18-10-9-13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
  • InChiKey: MYGYWEXOQDMDQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • IVK/0014768
  • ZINC06725561

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 inositol monophosphatase 1 0.0037 0.0271 0.0271
Onchocerca volvulus 0.0092 0.1112 0.9392
Mycobacterium ulcerans lipase LipD 0.0037 0.0263 0.0869
Loa Loa (eye worm) hypothetical protein 0.0053 0.0517 0.1708
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0263 0.9722
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0263 0.0807
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0246 0.9087
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0263 0.9722
Mycobacterium leprae Probable lipase LipE 0.0037 0.0263 0.0183
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0218 0.3028 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0096 0.1174 0.3878
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0246 0.9087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0405 0.0405
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0218 0.3028 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0263 0.0869
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0271 0.061
Brugia malayi Kringle domain containing protein 0.0029 0.0155 0.0512
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.2137 0.7057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0263 0.0263
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0405 0.1338
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0246 0.9087
Loa Loa (eye worm) TK/ROR protein kinase 0.0029 0.0155 0.0512
Trypanosoma cruzi GMP reductase 0.0218 0.3028 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0263 0.0807
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0246 0.0812
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0271 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.1799 0.1799
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0218 0.3028 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0512
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0405 0.0405
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0218 0.3028 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0263 0.0584
Echinococcus granulosus tumor protein p63 0.0364 0.5244 0.5244
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0246 0.0246
Trypanosoma cruzi GMP reductase 0.0218 0.3028 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.0894
Loa Loa (eye worm) hypothetical protein 0.0025 0.0092 0.0302
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0218 0.3028 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0218 0.3028 1
Toxoplasma gondii kringle domain-containing protein 0.0029 0.0155 0.0216
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Leishmania major hypothetical protein, conserved 0.0029 0.0155 0.0512
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0263 0.0869
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0218 0.3028 1
Trypanosoma brucei GMP reductase 0.0218 0.3028 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0263 0.0807
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0246 0.0812
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0096 0.1174 0.3418
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0263 0.0807
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0405 0.0405
Echinococcus granulosus tissue type plasminogen activator 0.0029 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Onchocerca volvulus 0.0037 0.0263 0.106
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Schistosoma mansoni inositol monophosphatase 0.0037 0.0271 0.0271
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0517 0.0517
Toxoplasma gondii ABC1 family protein 0.0037 0.0263 0.0584
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0263 0.9722
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0122 0.1561 0.479
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0122 0.1561 0.4785
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0246 0.9087
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0218 0.3028 0.3028
Plasmodium falciparum cysteine repeat modular protein 1 0.0029 0.0155 0.0216
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0263 0.0869
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0218 0.3028 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0218 0.3028 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0263 0.0807
Echinococcus multilocularis tissue type plasminogen activator 0.0029 0.0155 0.0155
Onchocerca volvulus 0.0053 0.0517 0.3553
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0092 0.0302
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0263 0.0183
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0263 0.0869
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0246 0.9087
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0246 0.9087
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0218 0.3028 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0271 0.0894
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0263 0.0807
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0263 0.0869
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0246 0.9087
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0263 0.9722
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.0894
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0029 0.0155 0.0216
Schistosoma mansoni alpha glucosidase 0.0035 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Schistosoma mansoni hypothetical protein 0.0029 0.0155 0.0155
Brugia malayi beta-lactamase family protein 0.0037 0.0263 0.0869
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0218 0.3028 0.3028
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0263 0.0263
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0096 0.1174 0.3878
Loa Loa (eye worm) beta-lactamase 0.0037 0.0263 0.0869
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0246 0.0812
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.2137 0.7057
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0155 0.0512
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1487 0.4912
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0092 0.0302
Mycobacterium tuberculosis Conserved protein 0.0037 0.0263 0.0807
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0405 0.0405
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.0894
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Echinococcus multilocularis microtubule associated protein 2 0.0677 1 1
Onchocerca volvulus 0.0037 0.0263 0.106
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0246 0.0526
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0263 0.0807
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0218 0.3028 1
Schistosoma mansoni microtubule-associated protein tau 0.0677 1 1
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0218 0.3028 1
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0271 0.0271
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0246 0.9087
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1487 0.4912
Schistosoma mansoni inositol monophosphatase 0.0037 0.0271 0.0271
Onchocerca volvulus Putative GMP reductase 0.0096 0.1174 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0212 0.0649
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0218 0.3028 0.9284
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0271 1
Brugia malayi beta-lactamase 0.0037 0.0263 0.0869
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0218 0.3028 0.3028
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0029 0.0155 0.0512
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0246 0.9087
Echinococcus multilocularis tumor protein p63 0.0364 0.5244 0.5244
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0246 0.9087
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.3262 1
Brugia malayi hypothetical protein 0.0025 0.0092 0.0302
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.0894
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0092 0.0302
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0263 0.0869
Loa Loa (eye worm) IMP dehydrogenase 1 0.0218 0.3028 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0405 0.0405
Brugia malayi GMP reductase 0.0096 0.1174 0.3878
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0263 0.0807
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0405 0.1338
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0246 0.9087
Trypanosoma brucei glucosidase, putative 0.0035 0.0246 0.0812
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0405 0.0405
Onchocerca volvulus 0.0037 0.0263 0.106
Toxoplasma gondii IMP dehydrogenas 0.0218 0.3028 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.1799 0.1799
Brugia malayi Inositol-1 0.0037 0.0271 0.0894
Trichomonas vaginalis esterase, putative 0.0037 0.0263 0.9722
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2137 0.2137
Loa Loa (eye worm) inositol-1 0.0037 0.0271 0.0894
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0263 0.0869
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2137 0.2137
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0263 0.0807
Leishmania major hypothetical protein, conserved 0.0037 0.0263 0.0869
Brugia malayi beta-lactamase family protein 0.0037 0.0263 0.0869
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.2137 0.2137
Leishmania major guanosine monophosphate reductase 0.0218 0.3028 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0246 0.0812
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0271 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0096 0.1174 0.3878
Brugia malayi MH2 domain containing protein 0.0117 0.1487 0.4912
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0405 0.0405
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0263 0.0263
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0271 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0263 0.0869
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0263 0.9722
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0246 0.0812
Leishmania major hypothetical protein, conserved 0.0025 0.0092 0.0302
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0263 0.0869
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0869
Loa Loa (eye worm) GMP reductase 0.0096 0.1174 0.3878
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0263 0.0263

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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