Detailed information for compound 1859154

Basic information

Technical information
  • TDR Targets ID: 1859154
  • Name: N'-[[4-(phenylmethoxy)phenyl]methylideneamino ]-N-(pyridin-4-ylmethyl)oxamide
  • MW: 388.419 | Formula: C22H20N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.77 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1ccncc1)N/N=C/c1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C22H20N4O3/c27-21(24-14-18-10-12-23-13-11-18)22(28)26-25-15-17-6-8-20(9-7-17)29-16-19-4-2-1-3-5-19/h1-13,15H,14,16H2,(H,24,27)(H,26,28)/b25-15+
  • InChiKey: OECNKPDSAHULIW-MFKUBSTISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[[4-(phenylmethoxy)phenyl]methyleneamino]-N-(4-pyridylmethyl)oxamide
  • N'-[[4-(benzyloxy)benzylidene]amino]-N-(4-pyridylmethyl)oxamide
  • N'-[[4-(phenylmethoxy)phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)ethanediamide
  • BAS 00753448
  • 2-[N'-(4-Benzyloxy-benzylidene)-hydrazino]-2-oxo-N-pyridin-4-ylmethyl-acetamide
  • MLS000687260
  • SMR000283966

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Rattus norvegicus ADP-ribosylation factor GTPase-activating protein 1 Starlite/ChEMBL No references
Homo sapiens ArfGAP with SH3 domain, ankyrin repeat and PH domain 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii ARF1-directed GTPase-activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Candida albicans potential ADP ribosylation factor GTPase activating protein (ARF GAP) similar to S. cerevisiae GCS1 (YDL226C) ARF GAP with a rol Get druggable targets OG5_127813 All targets in OG5_127813
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein Get druggable targets OG5_129717 All targets in OG5_129717
Candida albicans potential ADP ribosylation factor GTPase activating protein (ARF GAP) similar to S. cerevisiae GCS1 (YDL226C) ARF GAP with a rol Get druggable targets OG5_127813 All targets in OG5_127813
Babesia bovis ADP-ribosylation factor GTPase-activating factor, putative Get druggable targets OG5_127813 All targets in OG5_127813
Trypanosoma cruzi ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica ARF GTPase activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Echinococcus granulosus ADP ribosylation factor GTPase activating Get druggable targets OG5_127813 All targets in OG5_127813
Neospora caninum hypothetical protein Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica ARF GTPase activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Schistosoma japonicum ADP-ribosylation factor GTPase-activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein Get druggable targets OG5_127813 All targets in OG5_127813
Plasmodium vivax GTP-ase activating protein for Arf containing protein Get druggable targets OG5_127813 All targets in OG5_127813
Plasmodium knowlesi ADP-ribosylation factor GTPase-activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Leishmania major ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Brugia malayi GTP-ase activating protein for Arf containing protein Get druggable targets OG5_129717 All targets in OG5_129717
Trypanosoma brucei ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica ARF GTPase activating protein, putative Get druggable targets OG5_129717 All targets in OG5_129717
Trypanosoma congolense ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Cryptosporidium parvum ARF GAP-like zinc finger-containing protein Get druggable targets OG5_127813 All targets in OG5_127813
Leishmania donovani ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Schistosoma mansoni arf gtpase-activating protein Get druggable targets OG5_127813 All targets in OG5_127813
Trypanosoma brucei gambiense ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Leishmania braziliensis ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH Get druggable targets OG5_129717 All targets in OG5_129717
Echinococcus multilocularis ADP ribosylation factor GTPase activating Get druggable targets OG5_127813 All targets in OG5_127813
Theileria parva ADP-ribosylation factor GTPase-activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica Arf GTPase activating protein, putative Get druggable targets OG5_129717 All targets in OG5_129717
Plasmodium berghei ADP-ribosylation factor GTPase-activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Trichomonas vaginalis arf-GTPase activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Leishmania mexicana ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Onchocerca volvulus Get druggable targets OG5_127813 All targets in OG5_127813
Leishmania infantum ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Trypanosoma cruzi ADP-ribosylation factor GTPase activating protein 1, putative Get druggable targets OG5_127813 All targets in OG5_127813
Schistosoma mansoni development and differentiation-enhancing factor ddef Get druggable targets OG5_129717 All targets in OG5_129717
Plasmodium yoelii ADP-ribosylation factor GTPase-activating protein Get druggable targets OG5_127813 All targets in OG5_127813
Cryptosporidium hominis beta 7 subunit of 20S proteasome Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127813 All targets in OG5_127813
Brugia malayi GTP-ase activating protein for Arf containing protein Get druggable targets OG5_127813 All targets in OG5_127813
Plasmodium falciparum ADP-ribosylation factor GTPase-activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Entamoeba histolytica ARF GTPase activating protein, putative Get druggable targets OG5_127813 All targets in OG5_127813
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH Get druggable targets OG5_129717 All targets in OG5_129717
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
Loa Loa (eye worm) rho-GTPase-activating 0.0006 0.0817 0.0998
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.2103 0.2844
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.4789 0.5
Trypanosoma brucei unspecified product 0.0016 0.3087 0.3919
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.2103 0.2844
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Schistosoma mansoni DNA polymerase eta 0.0023 0.4789 0.5395
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4789 1
Brugia malayi hypothetical protein 0.0012 0.2103 0.257
Trypanosoma brucei ADP-ribosylation factor GTPase activating protein 1, putative 0.003 0.6315 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.4789 0.5
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.2103 0.2064
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.4789 0.7125
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.2103 0.2844
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.2103 0.2844
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Entamoeba histolytica Arf GTPase activating protein, putative 0.0036 0.7792 1
Trypanosoma brucei unspecified product 0.0023 0.4789 0.7125
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4789 0.5854
Trypanosoma brucei unspecified product 0.0016 0.3087 0.3919
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Schistosoma mansoni arf gtpase-activating protein 0.003 0.6315 0.7115
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.2103 0.2064
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.0038 0.8181 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3087 0.3919
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.2103 0.2844
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4789 0.7125
Echinococcus granulosus replication factor c subunit 1 0.0012 0.2103 0.1267
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.4789 0.5395
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3087 0.3919
Giardia lamblia Replication factor C, subunit 1 0.0012 0.2103 0.2897
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.2103 0.2064
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0045 1 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.2103 0.2315
Leishmania major DNA polymerase eta, putative 0.0023 0.4789 0.7125
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trypanosoma cruzi ADP-ribosylation factor GTPase activating protein 1, putative 0.003 0.6315 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.4789 0.7125
Brugia malayi GTP-ase activating protein for Arf containing protein 0.0038 0.8181 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4789 0.5854
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.0007 0.0957 0.1169
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.4789 0.7408
Chlamydia trachomatis DNA ligase 0.0012 0.2103 0.5
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0041 0.8877 1
Entamoeba histolytica hypothetical protein, conserved 0.003 0.6315 0.8005
Treponema pallidum DNA ligase (lig) 0.0012 0.2103 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3087 0.3919
Leishmania major ADP-ribosylation factor GTPase activating protein 1, putative 0.003 0.6315 1
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.2103 0.1267
Brugia malayi Rho-GTPase-activating 0.0005 0.0428 0.0523
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.2103 0.2064
Echinococcus granulosus ADP ribosylation factor GTPase activating 0.003 0.6315 0.5926
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.1007 0.1134
Entamoeba histolytica ARF GTPase activating protein, putative 0.003 0.6315 0.8005
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.2103 0.257
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.2103 0.2064
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.2103 0.2064
Brugia malayi DKFZp564C0469 protein 0.0012 0.2103 0.257
Schistosoma mansoni DNA ligase IV 0.0012 0.2103 0.2369
Trichomonas vaginalis centaurin beta, putative 0.0007 0.0957 0.0898
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.4789 0.4238
Brugia malayi GTP-ase activating protein for Arf containing protein 0.0007 0.0957 0.1169
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.2103 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Brugia malayi topoisomerase 0.0012 0.2103 0.257
Entamoeba histolytica ARF GTPase activating protein, putative 0.0036 0.7792 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Schistosoma mansoni oligophrenin 0.0005 0.0428 0.0482
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.2103 0.2844
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.2103 0.2844
Echinococcus granulosus nibrin 0.0012 0.2103 0.1267
Trypanosoma cruzi ADP-ribosylation factor GTPase activating protein 1, putative 0.003 0.6315 1
Brugia malayi GTP-ase activating protein for Arf containing protein 0.003 0.6315 0.7719
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Plasmodium falciparum ADP-ribosylation factor GTPase-activating protein, putative 0.003 0.6315 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.4789 0.4238
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4789 1
Brugia malayi hypothetical protein 0.0012 0.2103 0.257
Loa Loa (eye worm) hypothetical protein 0.0012 0.2103 0.257
Schistosoma mansoni topbp1 0.0012 0.2103 0.2369
Echinococcus multilocularis nibrin 0.0012 0.2103 0.1267
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.2103 0.2064
Schistosoma mansoni topbp1 0.0012 0.2103 0.2369
Echinococcus multilocularis dna polymerase eta 0.0023 0.4789 0.4238
Onchocerca volvulus 0.003 0.6315 1
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.003 0.6315 0.7719
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.2103 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.2103 0.2844
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.4789 0.4238
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Toxoplasma gondii ARF1-directed GTPase-activating protein, putative 0.003 0.6315 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.1007 0.1231
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.2103 0.2064
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.2103 0.2369
Trichomonas vaginalis arf-GTPase activating protein, putative 0.003 0.6315 1
Brugia malayi polk-prov protein 0.0007 0.1007 0.1231
Leishmania major DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.2103 0.2844
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.2103 0.257
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4789 0.7125
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.4789 0.5944
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.2103 0.2844
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.2103 0.2064
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Entamoeba histolytica ARF GTPase activating protein, putative 0.003 0.6315 0.8005
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.4789 0.5395
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.4789 0.7408
Entamoeba histolytica ARF GTPase activating protein, putative 0.003 0.6315 0.8005
Echinococcus multilocularis ADP ribosylation factor GTPase activating 0.003 0.6315 0.5926
Echinococcus granulosus dna polymerase eta 0.0023 0.4789 0.4238
Loa Loa (eye worm) hypothetical protein 0.0023 0.4789 0.5854
Echinococcus multilocularis dna polymerase kappa 0.0023 0.4789 0.4238
Entamoeba histolytica hypothetical protein 0.0012 0.2103 0.2315
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trichomonas vaginalis development and differentiation-enhancing factor, ddef, putative 0.0007 0.0957 0.0898
Plasmodium vivax GTP-ase activating protein for Arf containing protein 0.003 0.6315 1
Schistosoma mansoni CENTB5 protein 0.0005 0.0568 0.064
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.4789 0.5854
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4789 0.7125
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.2103 0.2897
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4789 0.7125
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.4789 0.7125
Giardia lamblia DINP protein human, muc B family 0.0023 0.4789 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.341 uM PubChem BioAssay. Fluorescence polarization-based biochemical high throughput dose response screening assay to identify inhibitors of ADP-ribosylation factor GTPase activating protein 1 (ARFGAP1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 13.232 uM PubChem BioAssay. Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of ArfGAP with SH3 domain, ankyrin repeat and PH domain 1 (ASAP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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 (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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