Detailed information for compound 690830

Basic information

Technical information
  • TDR Targets ID: 690830
  • Name: N-[2-dimethylamino-2-(4-dimethylaminophenyl)e thyl]-N'-(4-methoxyphenyl)oxamide
  • MW: 384.472 | Formula: C21H28N4O3
  • H donors: 2 H acceptors: 2 LogP: 2.47 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)C(=O)NCC(c1ccc(cc1)N(C)C)N(C)C
  • InChi: 1S/C21H28N4O3/c1-24(2)17-10-6-15(7-11-17)19(25(3)4)14-22-20(26)21(27)23-16-8-12-18(28-5)13-9-16/h6-13,19H,14H2,1-5H3,(H,22,26)(H,23,27)
  • InChiKey: VQHNXJFRMBCFQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-dimethylamino-2-(4-dimethylaminophenyl)ethyl]-N'-(4-methoxyphenyl)ethanediamide

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
Brugia malayi beta-lactamase family protein 0.0037 0.0193 0.0575
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.003 0.0102 0.072
Brugia malayi hypothetical protein 0.0246 0.2602 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0193 0.0065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.1387 0.1274
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.006 0.0454 0.0266
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0193 0.0065
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.0823 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0193 0.0148
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0193 0.0743
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.2602 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0193 0.1892
Schistosoma mansoni survival motor neuron protein 0.005 0.034 0.1893
Schistosoma mansoni bromodomain containing protein 0.0063 0.0495 0.2754
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0178
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.01 0.0917 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0193 0.0065
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.006 0.0454 0.4683
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0193 0.0663
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Echinococcus granulosus geminin 0.0176 0.1797 0.6879
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0453 0.1671
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0193 0.1892
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.1387 0.1217
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.3089 0.247
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0022 0.0123
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0453 0.1671
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0178 0.0602
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.3089 0.5
Leishmania major hypothetical protein, conserved 0.0037 0.0193 0.1892
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0885 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0282 0.1567
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.034 0.1149
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0885 1 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0092 0.0823 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0193 0.0065
Brugia malayi PHD-finger family protein 0.0025 0.005 0.0013
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0885 1 1
Schistosoma mansoni hypothetical protein 0.0176 0.1797 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0193 0.1687
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.0917 0.0875
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.01 0.0917 0.0875
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0193 0.1892
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0282 0.1005
Mycobacterium tuberculosis Conserved protein 0.0037 0.0193 0.0065
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0092 0.0823 0.4578
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0282 0.1005
Brugia malayi beta-lactamase family protein 0.0037 0.0193 0.0575
Treponema pallidum hypothetical protein 0.0885 1 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0092 0.0823 0.3037
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0092 0.0823 0.3102
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0193 0.1076
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Onchocerca volvulus 0.005 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0193 0.0065
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0092 0.0823 0.0642
Mycobacterium tuberculosis Conserved protein 0.0037 0.0193 0.0065
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.0917 0.25
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.01 0.0917 0.25
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0282 0.092
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0193 0.0575
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0193 0.1076
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0178 0.0602
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0193 0.0065
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Loa Loa (eye worm) beta-lactamase 0.0037 0.0193 0.0743
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.3089 0.5
Schistosoma mansoni hypothetical protein 0.0176 0.1797 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.0917 0.25
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0193 0.0663
Brugia malayi Bromodomain containing protein 0.0038 0.0205 0.062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0282 0.1005
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0092 0.0823 0.3102
Brugia malayi beta-lactamase 0.0037 0.0193 0.0575
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0282 0.1567
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0282 0.1005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0982
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.3089 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0193 0.0065
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.2525 0.2427
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0193 0.0065
Loa Loa (eye worm) hypothetical protein 0.0246 0.2602 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.1387 0.1217
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.0823 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0092 0.0823 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0233 0.0896
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0743
Schistosoma mansoni hypothetical protein 0.005 0.034 0.1893
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0885 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0092 0.0823 0.3161
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0282 0.1082
Brugia malayi Bromodomain containing protein 0.0075 0.0631 0.2287
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.2602 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3089 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0581 0.2233
Echinococcus multilocularis geminin 0.0176 0.1797 0.6879
Loa Loa (eye worm) hypothetical protein 0.0038 0.0206 0.0791
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0112 0.0851
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0282 0.1567

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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