Detailed information for compound 1343570

Basic information

Technical information
  • TDR Targets ID: 1343570
  • Name: 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiaz ol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
  • MW: 416.472 | Formula: C24H24N4O3
  • H donors: 1 H acceptors: 4 LogP: 3.28 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NCc1ccc2c(c1)cccn2
  • InChi: 1S/C24H24N4O3/c1-30-20-8-4-17(5-9-20)7-12-23-27-28-24(31-23)13-11-22(29)26-16-18-6-10-21-19(15-18)3-2-14-25-21/h2-6,8-10,14-15H,7,11-13,16H2,1H3,(H,26,29)
  • InChiKey: BJBNEWZAXOPCRO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(6-quinolylmethyl)propanamide
  • 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(6-quinolylmethyl)propionamide
  • 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(quinolin-6-ylmethyl)propanamide
  • MLS000732805
  • SMR000318606

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768

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
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0049 0.0277 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0049 0.0277 1
Echinococcus granulosus calpain 0.0047 0.0249 0.0264
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Brugia malayi Peptidase family M1 containing protein 0.0049 0.0277 0.0657
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0049 0.0277 1
Trypanosoma cruzi kinesin, putative 0.0039 0.0174 0.6274
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0926 0.9443 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0049 0.0277 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0049 0.0277 1
Echinococcus granulosus calpain A 0.0047 0.0249 0.0264
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0.0277 1
Loa Loa (eye worm) calpain family protein 1 0.0139 0.122 0.1292
Loa Loa (eye worm) peptidase family M1 containing protein 0.0049 0.0277 0.0293
Entamoeba histolytica aminopeptidase, putative 0.0049 0.0277 1
Schistosoma mansoni calpain (C02 family) 0.0047 0.0249 0.0264
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0926 0.9443 1
Schistosoma mansoni calpain-7 (C02 family) 0.0047 0.0249 0.0264
Brugia malayi calpain family protein 1 0.0139 0.122 0.2896
Brugia malayi hypothetical protein 0.0049 0.0277 0.0657
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0926 0.9443 0.9443
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0049 0.0277 1
Trypanosoma brucei calpain-like protein, putative 0.0047 0.0249 0.901
Loa Loa (eye worm) calpain 5 0.0039 0.0174 0.0184
Echinococcus multilocularis calpain A 0.0146 0.1291 0.1291
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0139 0.122 0.1292
Brugia malayi calpain 7 0.0047 0.0249 0.0592
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0146 0.1291 0.1367
Trypanosoma brucei Aminopeptidase M1, putative 0.0049 0.0277 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0049 0.0277 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Brugia malayi Peptidase family M1 containing protein 0.0049 0.0277 0.0657
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0049 0.0277 0.0293
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0.0277 1
Trypanosoma brucei aminopeptidase, putative 0.0049 0.0277 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0049 0.0277 0.0277
Trypanosoma cruzi aminopeptidase, putative 0.0049 0.0277 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0049 0.0277 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0049 0.0277 1
Trypanosoma cruzi aminopeptidase, putative 0.0049 0.0277 1
Trypanosoma brucei antigen, putative 0.0047 0.0249 0.901
Echinococcus granulosus calpain A 0.0146 0.1291 0.1367
Echinococcus multilocularis calpain 0.0047 0.0249 0.0249
Loa Loa (eye worm) calpain 0.0047 0.0249 0.0264
Loa Loa (eye worm) aminopeptidase N 0.0049 0.0277 0.0293
Echinococcus granulosus leukotriene A 4 hydrolase 0.0926 0.9443 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0809 0.0857
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Entamoeba histolytica protein kinase, putative 0.0039 0.0174 0.6274
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0049 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1144 0.1212
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0049 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0049 0.0277 0.0293
Loa Loa (eye worm) hypothetical protein 0.0093 0.0733 0.0776
Trypanosoma brucei calpain-like protein, putative 0.0047 0.0249 0.901
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Trypanosoma cruzi kinesin, putative 0.0039 0.0174 0.6274
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0049 0.0277 0.0293
Loa Loa (eye worm) hypothetical protein 0.0049 0.0277 0.0293
Echinococcus multilocularis hypothetical protein 0.0047 0.0249 0.0249
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0049 0.0277 1
Brugia malayi calpain 5 0.0039 0.0174 0.0412
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0.0277 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0049 0.0277 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0146 0.1291 0.1367
Trypanosoma brucei kinesin, putative 0.0039 0.0174 0.6274
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0047 0.0249 0.901
Echinococcus multilocularis calpain family protein 1, d 0.01 0.0809 0.0809
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0049 0.0277 1
Echinococcus granulosus aminopeptidase N 0.0049 0.0277 0.0293
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0146 0.1291 0.1291
Trypanosoma brucei Aminopeptidase M1, putative 0.0049 0.0277 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0049 0.0277 0.0293
Loa Loa (eye worm) hypothetical protein 0.0139 0.122 0.1292
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Echinococcus multilocularis calpain 5 0.0047 0.0249 0.0249
Loa Loa (eye worm) TATA binding protein associated factor 0.0049 0.0277 0.0293
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0049 0.0277 1
Echinococcus multilocularis aminopeptidase N 0.0049 0.0277 0.0277
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0049 0.0277 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0049 0.0277 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0049 0.0277 0.0277
Schistosoma mansoni calpain C (C02 family) 0.0047 0.0249 0.0264
Loa Loa (eye worm) calpain family protein 1 0.01 0.0809 0.0857
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0049 0.0277 0.0277
Brugia malayi hypothetical protein 0.0049 0.0277 0.0657
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Entamoeba histolytica calpain large subunit domain III containing protein 0.0039 0.0174 0.6274
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0049 0.0277 0.0293
Schistosoma mansoni Mername-AA248 (C02 family) 0.0047 0.0249 0.0264
Toxoplasma gondii aminopeptidase N, putative 0.0049 0.0277 1
Echinococcus granulosus calpain 7 C02 family 0.0047 0.0249 0.0264
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0049 0.0277 0.0277
Leishmania major kinesin, putative 0.0039 0.0174 0.6274
Schistosoma mansoni calpain-7 (C02 family) 0.0047 0.0249 0.0264
Echinococcus multilocularis calpain 7 (C02 family) 0.0047 0.0249 0.0249
Brugia malayi Peptidase family M1 containing protein 0.0049 0.0277 0.0657
Loa Loa (eye worm) hypothetical protein 0.0049 0.0277 0.0293
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Brugia malayi TATA binding protein associated factor 0.0049 0.0277 0.0657
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Brugia malayi hypothetical protein 0.0426 0.4213 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0047 0.0249 0.901
Toxoplasma gondii aminopeptidase n, putative 0.0049 0.0277 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0049 0.0277 0.0277
Onchocerca volvulus 0.0093 0.0733 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0049 0.0277 0.0293
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0146 0.1291 0.1367
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0049 0.0277 1
Brugia malayi calpain family protein 1 0.0139 0.122 0.2896
Echinococcus granulosus calpain 5 0.0047 0.0249 0.0264
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0047 0.0249 0.901
Trypanosoma brucei calpain-like protein, putative 0.0047 0.0249 0.901
Trypanosoma brucei calpain-like protein, putative 0.0047 0.0249 0.901
Toxoplasma gondii aminopeptidase N protein 0.0049 0.0277 1
Plasmodium vivax calpain, putative 0.0047 0.0249 0.901

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0708 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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