Detailed information for compound 203686

Basic information

Technical information
  • TDR Targets ID: 203686
  • Name: 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propoxy]be nzoic acid
  • MW: 399.439 | Formula: C25H21NO4
  • H donors: 1 H acceptors: 3 LogP: 5.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccc(c1)OCCCc1nc(c(o1)c1ccccc1)c1ccccc1
  • InChi: 1S/C25H21NO4/c27-25(28)20-13-7-14-21(17-20)29-16-8-15-22-26-23(18-9-3-1-4-10-18)24(30-22)19-11-5-2-6-12-19/h1-7,9-14,17H,8,15-16H2,(H,27,28)
  • InChiKey: MPVRJYAEDJDTLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3-(4,5-diphenyloxazol-2-yl)propoxy]benzoic acid
  • 3-[3-(4,5-diphenyl-2-oxazolyl)propoxy]benzoic acid
  • 3-[3-[4,5-di(phenyl)-1,3-oxazol-2-yl]propoxy]benzoic acid
  • 3-[3-[4,5-di(phenyl)oxazol-2-yl]propoxy]benzoic acid
  • 3-[3-[4,5-di(phenyl)-2-oxazolyl]propoxy]benzoic acid

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
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.753 0.753
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0573 0.0761
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.9837 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.753 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.753 0.7596
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0573 0.0761
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.4407 0.5853
Brugia malayi jmjC domain containing protein 0.0016 0.0238 0.0242
Brugia malayi jmjC domain containing protein 0.006 0.4231 0.4301
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.4407 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0573 0.0761
Loa Loa (eye worm) TAR-binding protein 0.0065 0.465 0.4596
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.4407 0.4407
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.753 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0573 0.0573
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0573 0.0748
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0573 0.13
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0238 0.0317
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.753 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.753 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0238 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0573 0.0761
Leishmania major DNA polymerase eta, putative 0.002 0.0573 0.0761
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.2335 0.3101
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.3115 0.4137
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0019 0.0025
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.2288 0.2985
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Giardia lamblia Kinase, PLK 0.0097 0.753 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.7665 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.4407 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0573 0.0582
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0238 0.0317
Brugia malayi MH2 domain containing protein 0.0123 0.9837 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Leishmania major hypothetical protein, conserved 0.0016 0.0238 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0019 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0065 0.465 0.465
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0238 0.0238
Brugia malayi jmjC domain containing protein 0.0016 0.0238 0.0242
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.4407 1
Schistosoma mansoni kinase 0.0049 0.323 0.323
Brugia malayi glutathione reductase 0.0039 0.2288 0.2326
Echinococcus granulosus dna polymerase kappa 0.002 0.0573 0.0761
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.4407 0.4407
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0238 0.0317
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0573 0.0761
Schistosoma mansoni jumonji domain containing protein 0.006 0.4231 0.4231
Schistosoma mansoni tar DNA-binding protein 0.0065 0.465 0.465
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0238 0.0238
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0238 0.0238
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.6774 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.7665 1
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.4231 0.5618
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.4407 1
Brugia malayi jmjC domain containing protein 0.0016 0.0238 0.0242
Treponema pallidum NADH oxidase 0.0013 0 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.753 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.465 0.4596
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.4407 0.575
Plasmodium falciparum glutathione reductase 0.0039 0.2288 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.753 1
Brugia malayi TAR-binding protein 0.0065 0.465 0.4727
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.7665 1
Trypanosoma brucei unspecified product 0.002 0.0573 0.0761
Toxoplasma gondii thioredoxin reductase 0.0039 0.2288 0.5192
Leishmania major DNA polymerase kappa, putative 0.002 0.0573 0.0761
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.6774 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0019 0.0025
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.753 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0573 0.0761
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.4231 0.4231
Loa Loa (eye worm) RNA binding protein 0.0065 0.465 0.4596
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.4231 0.5618
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0238 0.0317
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.4231 0.4159
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.3115 0.4137
Loa Loa (eye worm) hypothetical protein 0.002 0.0573 0.0349
Trypanosoma brucei unspecified product 0.0014 0.0019 0.0025
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0238 0.0238
Brugia malayi jmjC domain containing protein 0.0016 0.0238 0.0242
Trypanosoma brucei trypanothione reductase 0.0039 0.2288 0.3039
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.465 0.4727
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0238 0.0317
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0238 0.0317
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.4231 0.4231
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0238 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Schistosoma mansoni tar DNA-binding protein 0.0065 0.465 0.465
Echinococcus granulosus phd:f box containing protein 0.0016 0.0238 0.0317
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0573 0.13
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.753 0.7655
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0573 0.0761
Echinococcus granulosus tar DNA binding protein 0.0065 0.465 0.6175
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0573 0.0761
Brugia malayi jmjC domain containing protein 0.006 0.4231 0.4301
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0573 0.0761
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0238 0.0317
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.4231 0.5618
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0573 0.0761
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.4407 0.5853
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.2288 0.3039
Leishmania major trypanothione reductase 0.0039 0.2288 0.3039
Plasmodium falciparum thioredoxin reductase 0.0039 0.2288 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.753 1
Brugia malayi Thioredoxin reductase 0.0039 0.2288 0.2326
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0573 0.0748
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.4231 0.5618
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0573 0.0349
Loa Loa (eye worm) glutathione reductase 0.0039 0.2288 0.2135
Mycobacterium tuberculosis Probable reductase 0.0089 0.6774 0.8837
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0238 0.0317
Brugia malayi RNA binding protein 0.0065 0.465 0.4727
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.2335 0.3101
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0238 0.0238
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0238 0.1042
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0573 0.0761
Schistosoma mansoni tar DNA-binding protein 0.0065 0.465 0.465
Trypanosoma brucei polo-like protein kinase 0.0097 0.753 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.9837 1
Plasmodium vivax glutathione reductase, putative 0.0039 0.2288 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.6774 0.8837
Echinococcus multilocularis tar DNA binding protein 0.0065 0.465 0.6175
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0238 0.0317
Schistosoma mansoni tar DNA-binding protein 0.0065 0.465 0.465
Echinococcus granulosus dna polymerase eta 0.002 0.0573 0.0761
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0573 0.0761
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0573 0.0761
Echinococcus multilocularis dna polymerase eta 0.002 0.0573 0.0761
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0573 0.0761
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0238 0.0541
Schistosoma mansoni DNA polymerase eta 0.002 0.0573 0.0573
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.4407 0.5853
Trypanosoma brucei unspecified product 0.0014 0.0019 0.0025
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0573 0.0573
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0573 0.0582
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0238 0.0541
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0238 0.0317
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.2288 1
Plasmodium vivax JmjC domain containing protein 0.0016 0.0238 0.1042
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0573 0.0761
Echinococcus multilocularis dna polymerase kappa 0.002 0.0573 0.0761
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.6774 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.2288 0.2135
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.6774 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0573 0.0761
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.7665 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 80 uM Inhibition of ADP-induced human platelet aggregation. ChEMBL. 1404230

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

1 literature reference was collected for this gene.

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