Detailed information for compound 1524174

Basic information

Technical information
  • TDR Targets ID: 1524174
  • Name: 3-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
  • MW: 299.321 | Formula: C17H17NO4
  • H donors: 2 H acceptors: 3 LogP: 2.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NC(c1ccccc1)CC(=O)O
  • InChi: 1S/C17H17NO4/c1-22-14-9-7-13(8-10-14)17(21)18-15(11-16(19)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,18,21)(H,19,20)
  • InChiKey: KQNYGEVMQQEVLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-methoxybenzoyl)amino]-3-phenyl-propanoic acid
  • 3-[[(4-methoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid
  • 3-[(4-methoxybenzoyl)amino]-3-phenyl-propionic acid
  • 3-[(4-methoxyphenyl)carbonylamino]-3-phenyl-propanoic acid
  • Oprea1_725121
  • BBV-013457

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
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.051 0.0598
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0224 0.2819 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0158 0.1922 0.6347
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.051 0.1102
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0036 0.0247 0.1149
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0317 0.4093 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0655 0.0622
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0113 0.1303 1
Brugia malayi hypothetical protein 0.0021 0.0047 0.004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0655 0.3372
Loa Loa (eye worm) hypothetical protein 0.0034 0.0215 0.0646
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.051 0.0477
Loa Loa (eye worm) hypothetical protein 0.0068 0.0686 0.2337
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0215 0.0764
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Schistosoma mansoni loxhd1 0.0021 0.0047 0.0011
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0168 0.2046 0.7222
Schistosoma mansoni lipoxygenase 0.006 0.0574 0.054
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0655 0.0622
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.051 0.0477
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0047 0.0011
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0548 0.1842
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0047 0.0011
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0067 0.0169
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0655 0.0622
Schistosoma mansoni DNA topoisomerase II 0.0168 0.2046 0.2018
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0655 0.2139
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0155 0.1874 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0158 0.1922 0.6818
Echinococcus multilocularis RUN 0.0021 0.0047 0.0011
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0188 0.2327 0.7994
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0606 0.0572
Brugia malayi polk-prov protein 0.0034 0.0215 0.0646
Brugia malayi MAP kinase sur-1 0.0055 0.051 0.1706
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0155 0.1874 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0069 0.012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.051 0.1706
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.051 0.181
Giardia lamblia Fructose-bisphosphate aldolase 0.0317 0.4093 1
Trypanosoma brucei protein kinase, putative 0.0055 0.051 0.181
Toxoplasma gondii DNA topoisomerase 2, putative 0.0168 0.2046 0.6994
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0364 0.0808
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.051 0.0477
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0606 0.0572
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0606 0.3101
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0155 0.1874 1
Brugia malayi hypothetical protein 0.0021 0.0047 0.004
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0047 0.0011
Leishmania major DNA topoisomerase IB, large subunit 0.0224 0.2819 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0655 0.3372
Onchocerca volvulus 0.0021 0.0047 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.051 0.1612
Loa Loa (eye worm) hypothetical protein 0.0023 0.0069 0.012
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0168 0.2046 0.7222
Trypanosoma brucei unspecified product 0.0037 0.0266 0.0942
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.051 0.0598
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Echinococcus granulosus RUN 0.0021 0.0047 0.0011
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0364 0.1784
Schistosoma mansoni lipoxygenase 0.0021 0.0047 0.0011
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0113 0.1303 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0655 0.3372
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.051 0.0598
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0067 0.0237
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0098 0.109 0.3279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0606 0.3101
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0606 0.0572
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.051 0.117
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.051 0.0598
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Echinococcus granulosus DNA topoisomerase 1 0.0224 0.2819 0.2794
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.051 0.1025
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.051 0.1612
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0188 0.2327 0.7994
Brugia malayi Doublecortin family protein 0.0021 0.0047 0.004
Treponema pallidum fructose-bisphosphate aldolase 0.0317 0.4093 1
Mycobacterium ulcerans DNA gyrase subunit A 0.0036 0.0247 0.1149
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.051 0.117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0047 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Schistosoma mansoni microtubule-associated protein tau 0.0749 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0047 0.0011
Chlamydia trachomatis DNA gyrase subunit B 0.0098 0.109 1
Schistosoma mansoni hypothetical protein 0.0338 0.4374 0.4354
Echinococcus granulosus X box binding protein 1 0.0338 0.4374 0.4354
Plasmodium vivax DNA topoisomerase II, putative 0.0168 0.2046 0.7211
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0574 0.054
Schistosoma mansoni DNA topoisomerase type I 0.0224 0.2819 0.2794
Trichomonas vaginalis DNA topoisomerase II, putative 0.0168 0.2046 0.4955
Schistosoma mansoni rab6-interacting 0.0021 0.0047 0.0011
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0113 0.1303 1
Leishmania major mitochondrial DNA topoisomerase II 0.0188 0.2327 0.821
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0606 0.3101
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.051 0.0477
Mycobacterium ulcerans DNA gyrase subunit B 0.0098 0.109 0.5739
Plasmodium falciparum DNA topoisomerase 2 0.0168 0.2046 0.7211
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0168 0.2046 0.2018
Echinococcus multilocularis X box binding protein 1 0.0338 0.4374 0.4354
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0606 0.2048
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0224 0.2819 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0047 0.0011
Plasmodium vivax DNA gyrase subunit A, putative 0.0036 0.0247 0.0722
Plasmodium falciparum topoisomerase I 0.0224 0.2819 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.4093 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0655 0.0622
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0158 0.1922 0.6818
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0266 0.0942
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0574 0.054
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.004
Toxoplasma gondii DNA topoisomerase I, putative 0.0224 0.2819 1
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0364 0.129
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.051 0.117
Leishmania major DNA topoisomerase ii 0.0158 0.1922 0.6741
Schistosoma mansoni hypothetical protein 0.0021 0.0047 0.0011
Schistosoma mansoni polycystin 1-related 0.0021 0.0047 0.0011
Schistosoma mansoni DNA topoisomerase type I 0.0224 0.2819 0.2794
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0098 0.109 0.5739
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0098 0.109 0.2193
Loa Loa (eye worm) hypothetical protein 0.0113 0.1305 0.456
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0364 0.0329
Plasmodium falciparum DNA gyrase subunit B 0.0098 0.109 0.3765
Schistosoma mansoni rab6-interacting 0.0021 0.0047 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0215 0.0764
Plasmodium falciparum DNA gyrase subunit A 0.0036 0.0247 0.0722
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0317 0.4093 1
Brugia malayi Probable DNA topoisomerase II 0.0168 0.2046 0.7222
Plasmodium vivax DNA gyrase subunit B, putative 0.0098 0.109 0.3765
Loa Loa (eye worm) DNA topoisomerase I 0.0224 0.2819 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0168 0.2046 0.2018
Loa Loa (eye worm) hypothetical protein 0.0023 0.0069 0.012
Schistosoma mansoni DNA topoisomerase type I 0.0224 0.2819 0.2794
Loa Loa (eye worm) hypothetical protein 0.0113 0.1305 0.456
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.004
Echinococcus multilocularis microtubule associated protein 2 0.0749 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0077 0.081 0.6674
Trypanosoma cruzi DNA topoisomerase II, putative 0.0158 0.1922 0.6347
Brugia malayi DNA topoisomerase I 0.0224 0.2819 1
Giardia lamblia DNA topoisomerase II 0.0159 0.1927 0.4619
Onchocerca volvulus 0.0021 0.0047 0.0087
Plasmodium vivax topoisomerase I, putative 0.0224 0.2819 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0098 0.109 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.051 0.0477
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0655 0.1588
Loa Loa (eye worm) TOPoisomerase family member 0.0168 0.2046 0.7222
Echinococcus multilocularis DNA topoisomerase 1 0.0224 0.2819 0.2794
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0364 0.129
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0606 0.1958
Echinococcus granulosus dna polymerase kappa 0.0045 0.0364 0.0329
Trypanosoma brucei DNA topoisomerase ii 0.0188 0.2327 0.8252
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.051 0.117
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0364 0.1784
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0364 0.129
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0655 0.3372
Loa Loa (eye worm) hypothetical protein 0.0068 0.0686 0.2337
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0364 0.0808
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0047 0.004

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.
 
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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