Detailed information for compound 1860501

Basic information

Technical information
  • TDR Targets ID: 1860501
  • Name: N-(pyridin-4-ylmethyl)-N'-(pyridin-2-ylmethyl ideneamino)oxamide
  • MW: 283.285 | Formula: C14H13N5O2
  • H donors: 2 H acceptors: 4 LogP: 0.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1ccncc1)N/N=C/c1ccccn1
  • InChi: 1S/C14H13N5O2/c20-13(17-9-11-4-7-15-8-5-11)14(21)19-18-10-12-3-1-2-6-16-12/h1-8,10H,9H2,(H,17,20)(H,19,21)/b18-10+
  • InChiKey: CNHJLEFQZCNICO-VCHYOVAHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-pyridylmethyl)-N'-(2-pyridylmethyleneamino)oxamide
  • N-(pyridin-4-ylmethyl)-N'-(pyridin-2-ylmethylideneamino)ethanediamide
  • SMR000282541
  • BAS 00753460
  • 2-Oxo-N-pyridin-4-ylmethyl-2-(N'-pyridin-2-ylmethylene-hydrazino)-acetamide
  • MLS000712774

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

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
Brugia malayi Bromodomain containing protein 0.0071 0.5161 0.5122
Brugia malayi AMP-binding enzyme family protein 0.0123 1 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0036 0.1863 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.7489 0.7489
Loa Loa (eye worm) hypothetical protein 0.0092 0.7088 0.7088
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.1863 0.1863
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0021 0.0489 0.1188
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0123 1 1
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0036 0.1863 0.1863
Brugia malayi AMP-binding enzyme family protein 0.0036 0.1863 0.1797
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Brugia malayi AMP-binding enzyme family protein 0.0036 0.1863 0.1797
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0036 0.1863 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0036 0.1863 0.1797
Brugia malayi AMP-binding enzyme family protein 0.0123 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0666 0.1753
Schistosoma mansoni hypothetical protein 0.002 0.0319 0.0774
Brugia malayi PHD-finger family protein 0.0024 0.07 0.0624
Onchocerca volvulus 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1899 0.1899
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0036 0.1863 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0036 0.1863 0.1283
Leishmania major hypothetical protein, conserved 0.0026 0.0958 0.0313
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0123 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1863 0.1863
Leishmania major acetyl-CoA synthetase, putative 0.0036 0.1863 0.1283
Mycobacterium ulcerans acyl-CoA synthetase 0.0123 1 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0036 0.1863 0.1476
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0087 0.6618 0.6377
Entamoeba histolytica acyl-CoA synthetase, putative 0.0123 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0123 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0666 0.1753
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0036 0.1863 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0036 0.1863 0.1797
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0036 0.1863 0.1283
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0036 0.1863 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0057 0.3799 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0666 0.059
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0958 0.2443
Leishmania major 4-coumarate:coa ligase-like protein 0.0123 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0958 0.2443
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0092 0.7088 0.688
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0036 0.1863 0.1283
Echinococcus granulosus fetal alzheimer antigen falz 0.0021 0.0489 0.1287
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Loa Loa (eye worm) hypothetical protein 0.0092 0.7088 0.7088
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0036 0.1863 0.1283
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.1863 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.0036 0.1863 0.1283
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0958 0.2443
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0021 0.0489 0.1287
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.1863 0.1863
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0123 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0123 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0123 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Toxoplasma gondii propionate-CoA ligase 0.0036 0.1863 1
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0031 0.1393 0.0779
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0036 0.1863 0.1476
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0092 0.7088 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0666 0.1753
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0036 0.1863 0.1283
Loa Loa (eye worm) hypothetical protein 0.0041 0.228 0.228
Loa Loa (eye worm) hypothetical protein 0.0092 0.7088 0.7088
Loa Loa (eye worm) hypothetical protein 0.0026 0.0958 0.0958
Mycobacterium ulcerans hypothetical protein 0.0123 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0123 1 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0036 0.1863 0.1283
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0036 0.1863 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0036 0.1863 0.1283
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0319 0.0319
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0096 0.7489 0.731
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0036 0.1863 0.1283
Leishmania major acetyl-CoA synthetase, putative 0.0036 0.1863 0.1283
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0666 0.059
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0036 0.1863 0.4905
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0096 0.7489 0.731
Plasmodium vivax acyl-CoA synthetase, putative 0.0092 0.7088 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0036 0.1863 0.1283
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0087 0.6618 0.6377
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0666 0.1617
Brugia malayi AMP-binding enzyme family protein 0.0036 0.1863 0.1797
Entamoeba histolytica acyl-coA synthetase, putative 0.0123 1 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0036 0.1863 0.4905
Leishmania major 4-coumarate:coa ligase-like protein 0.0123 1 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0225 0.0592
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0087 0.6618 0.6377
Echinococcus multilocularis dna polymerase eta 0.0023 0.0666 0.1753
Schistosoma mansoni bromodomain containing protein 0.006 0.4117 1
Brugia malayi Bromodomain containing protein 0.0036 0.1892 0.1827
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0034 0.1682 0.4427
Loa Loa (eye worm) hypothetical protein 0.0067 0.478 0.478
Schistosoma mansoni zinc finger protein 0.0019 0.0225 0.0546
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0036 0.1863 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0034 0.1682 0.4427
Schistosoma mansoni DNA polymerase eta 0.0023 0.0666 0.1617
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0123 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.1863 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0036 0.1863 0.1283
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0036 0.1863 0.1283
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0036 0.1863 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0666 0.1617
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0036 0.1863 0.1283
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0087 0.6618 0.6377
Loa Loa (eye worm) hypothetical protein 0.0039 0.211 0.211
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0666 0.1753
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0666 0.1753
Loa Loa (eye worm) hypothetical protein 0.0092 0.7088 0.7088
Loa Loa (eye worm) oxidoreductase 0.0036 0.1863 0.1863
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0036 0.1863 0.1283
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283
Brugia malayi AMP-binding enzyme family protein 0.0036 0.1863 0.1797
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Brugia malayi hypothetical protein 0.0026 0.0958 0.0885
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1863 0.1283
Echinococcus granulosus zinc finger protein 0.0019 0.0225 0.0592
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0036 0.1863 0.1283
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0092 0.7088 0.688
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0666 0.0666
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1863 0.1283
Loa Loa (eye worm) hypothetical protein 0.0092 0.7088 0.7088
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1863 0.1283
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0036 0.1863 0.1283
Leishmania major 4-coumarate:coa ligase-like protein 0.0123 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0123 1 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0036 0.1863 0.1283
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0057 0.3799 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1863 0.1283
Plasmodium falciparum acyl-CoA synthetase 0.0092 0.7088 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0123 1 1
Schistosoma mansoni acetyl-CoA synthetase 0.0036 0.1863 0.4525
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0666 0.0666
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0036 0.1863 0.1283
Mycobacterium ulcerans acyl-CoA synthetase 0.0036 0.1863 0.1283

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 24.223 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 86.127 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 20.7865 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) = 25.0594 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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