Detailed information for compound 1448317

Basic information

Technical information
  • TDR Targets ID: 1448317
  • Name: N'-(3,4-dimethoxyphenyl)-N-quinolin-8-yloxami de
  • MW: 351.356 | Formula: C19H17N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)NC(=O)C(=O)Nc1cccc2c1nccc2
  • InChi: 1S/C19H17N3O4/c1-25-15-9-8-13(11-16(15)26-2)21-18(23)19(24)22-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,23)(H,22,24)
  • InChiKey: DTDXWNKBRPNJAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(3,4-dimethoxyphenyl)-N-(8-quinolyl)oxamide
  • N'-(3,4-dimethoxyphenyl)-N-quinolin-8-yl-ethanediamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens hypocretin (orexin) receptor 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sex peptide receptor hypocretin (orexin) receptor 1 425 aa 350 aa 23.4 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis muscleblind protein 1 0.0147 0.3617 0.4216
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0591 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0075 0.1507 0.1757
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0591 0.0689
Toxoplasma gondii cell division protein CDC48CY 0.0316 0.8579 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.3617 0.7616
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0591 0.0689
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0075 0.1507 0.1757
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.3617 0.7616
Mycobacterium ulcerans ATPase 0.0189 0.486 0.983
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4373 0.4373
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0591 0.0689
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0591 0.1195
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0591 0.5
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0316 0.8579 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0591 0.0793
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0591 0.0591
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0316 0.8579 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.0185 0.4749 1
Trypanosoma brucei Valosin-containing protein 0.03 0.8102 0.8102
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0819 0.0819
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0316 0.8579 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.03 0.8102 0.9444
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0591 0.0689
Mycobacterium tuberculosis Putative conserved ATPase 0.0189 0.486 0.652
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0316 0.8579 1
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.03 0.8102 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0819 0.0819
Mycobacterium leprae Probable lipase LipE 0.0043 0.0591 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0591 0.0793
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0819 0.0819
Echinococcus granulosus muscleblind protein 0.0147 0.3617 0.4216
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0591 0.0591
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0819 0.0819
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0591 0.0689
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0131 0.3147 0.6628
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0591 0.1244
Brugia malayi beta-lactamase family protein 0.0043 0.0591 0.1244
Mycobacterium ulcerans hypothetical protein 0.0192 0.4944 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0591 0.0689
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7454 1
Trypanosoma cruzi Valosin-containing protein, putative 0.03 0.8102 0.8102
Loa Loa (eye worm) hypothetical protein 0.0185 0.4749 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1148 0.1148
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4944 0.6633
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0591 0.0793
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0189 0.486 0.5344
Toxoplasma gondii hypothetical protein 0.0059 0.104 0.0563
Entamoeba histolytica cdc48-like protein, putative 0.03 0.8102 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0591 0.0793
Toxoplasma gondii cell division protein CDC48AP 0.0189 0.486 0.5345
Brugia malayi beta-lactamase family protein 0.0043 0.0591 0.1244
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0131 0.3147 0.3669
Brugia malayi vesicle-fusing ATPase 0.0185 0.4749 1
Giardia lamblia AAA family ATPase 0.0189 0.486 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0131 0.3147 0.3669
Mycobacterium ulcerans hypothetical protein 0.0043 0.0591 0.1195
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0591 0.0591
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0591 0.0793
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Brugia malayi Muscleblind-like protein 0.0147 0.3617 0.7616
Mycobacterium ulcerans lipase LipD 0.0043 0.0591 0.1195
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0316 0.8579 1
Trichomonas vaginalis esterase, putative 0.0043 0.0591 0.0689
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0591 0.1195
Loa Loa (eye worm) VCP protein 0.0131 0.3147 0.6628
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0591 0.0793
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0591 0.0793
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0591 0.0793
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.03 0.8102 0.5
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.03 0.8102 0.8102
Brugia malayi valosin containing protein 0.0185 0.4749 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0591 0.0689
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0591 0.0793
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4373 0.4373
Echinococcus multilocularis muscleblind protein 0.0147 0.3617 0.4216
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0591 0.1244
Loa Loa (eye worm) hypothetical protein 0.0043 0.0591 0.1244
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.03 0.8102 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0591 0.1244
Brugia malayi beta-lactamase 0.0043 0.0591 0.1244
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0591 0.0689
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4373 0.4373
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0591 0.0689
Mycobacterium ulcerans beta-lactamase 0.0043 0.0591 0.1195
Plasmodium vivax cell division cycle ATPase, putative 0.0114 0.2671 0.2769
Leishmania major hypothetical protein, conserved 0.0043 0.0591 0.0591

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.47496 uM PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434989, AID435008, AID463079, AID485270, AID492963, AID492964, AID492965, AID493232, AID504717, AID504718] ChEMBL. No reference
IC50 (functional) = 1.335 uM PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434989, AID435008, AID463079, AID485270, AID492963, AID492964, AID492965, AID493232, AID504717, AID504718] ChEMBL. No reference
IC50 (functional) > 50 uM PUBCHEM_BIOASSAY: Counterscreen assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1): Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based dose response assay for antagonists of the orexin 2 receptor (OX2R; HCRTR2), run by assay provider. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 88.8 uM PUBCHEM_BIOASSAY: Counterscreen assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1): Fluorescence-based cell-based dose response assay for antagonists of the orexin 2 receptor (OX2R; HCRTR2), run by assay provider. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 1.1689 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) = 1.7783 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 16.5113 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.