Detailed information for compound 757382

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.473 | Formula: C24H25N3O4
  • H donors: 1 H acceptors: 4 LogP: 2.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN1C(=O)C(=C(C21C(=O)N(c1c2cccc1)C)C(=O)c1ccccc1)O)C
  • InChi: 1S/C24H25N3O4/c1-25(2)14-9-15-27-22(30)21(29)19(20(28)16-10-5-4-6-11-16)24(27)17-12-7-8-13-18(17)26(3)23(24)31/h4-8,10-13,29H,9,14-15H2,1-3H3
  • InChiKey: MBPUJUIDVJWKNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Entamoeba histolytica hypothetical protein 0.0036 0.0291 0.6611
Loa Loa (eye worm) hypothetical protein 0.0296 0.4482 1
Echinococcus multilocularis acetylcholinesterase 0.0296 0.4482 0.8559
Brugia malayi acetyltransferase, GNAT family protein 0.0164 0.2351 0.5245
Brugia malayi Carboxylesterase family protein 0.0296 0.4482 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0638 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0184 0.1305
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0184 0.1305
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0087 0.1099 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.051 0.1046
Brugia malayi Probable ClpP-like protease 0.0087 0.1099 0.2452
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 0.5
Loa Loa (eye worm) hypothetical protein 0.0296 0.4482 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0087 0.1099 0.2031
Entamoeba histolytica hypothetical protein 0.0036 0.0291 0.6611
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0291 0.0552
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0481 0.3304
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.005 0.051 0.0913
Echinococcus multilocularis acetylcholinesterase 0.0296 0.4482 0.8559
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0163 0.0117
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0512 0.1049
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0164 0.2351 0.5196
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.005 0.051 0.0913
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.005 0.051 0.0895
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0446 0.0994
Loa Loa (eye worm) carboxylesterase 0.005 0.051 0.1046
Echinococcus granulosus para nitrobenzyl esterase 0.005 0.051 0.0895
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0302 0.4576 0.4551
Loa Loa (eye worm) acetylcholinesterase 1 0.0296 0.4482 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0481 0.9381
Mycobacterium ulcerans hypothetical protein 0.0336 0.5127 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.0618 0.1125
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0638 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0291 0.6611
Loa Loa (eye worm) carboxylesterase 0.0296 0.4482 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0087 0.1099 0.2031
Brugia malayi hypothetical protein 0.0029 0.0163 0.0364
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Trichomonas vaginalis spcc417.12 protein, putative 0.005 0.051 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0446 0.077
Brugia malayi Carboxylesterase family protein 0.0296 0.4482 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.1099 0.7991
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0481 0.084
Loa Loa (eye worm) carboxylesterase 0.005 0.051 0.1046
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0163 0.0888
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.009 0.1151 0.1109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.1467 0.1428
Echinococcus granulosus neuroligin 0.005 0.051 0.0895
Echinococcus granulosus tumor protein p63 0.0342 0.5229 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0291 0.0472
Echinococcus multilocularis para nitrobenzyl esterase 0.005 0.051 0.0895
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 1
Leishmania major hypothetical protein, conserved 0.0029 0.0163 0.0117
Echinococcus granulosus acetylcholinesterase 0.0296 0.4482 0.8559
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0087 0.1099 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0481 0.9381
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 0.2072
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0164 0.2351 0.4447
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Echinococcus multilocularis tumor protein p63 0.0342 0.5229 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.009 0.1151 0.1109
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0446 0.09
Brugia malayi Carboxylesterase family protein 0.005 0.051 0.1138
Schistosoma mansoni hypothetical protein 0.0036 0.0291 0.0552
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1924 0.4233
Echinococcus multilocularis carboxylesterase 5A 0.0296 0.4482 0.8559
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0302 0.4576 0.4551
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.0618 0.4744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.09
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 0.2072
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0163 0.1111
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Echinococcus multilocularis BC026374 protein (S09 family) 0.005 0.051 0.0895
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.005 0.051 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0302 0.4576 0.4551
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0163 0.1111
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.1099 0.7991
Mycobacterium ulcerans carboxylesterase, LipT 0.005 0.051 0.0913
Echinococcus granulosus BC026374 protein S09 family 0.005 0.051 0.0895
Toxoplasma gondii hypothetical protein 0.0103 0.1364 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0446 0.077
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0296 0.4482 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0046 0.0103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0446 0.077
Schistosoma mansoni acetylcholinesterase 0.005 0.051 0.1046
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 1
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.0618 0.1103
Entamoeba histolytica hypothetical protein 0.0036 0.0291 0.6611
Schistosoma mansoni BC026374 protein (S09 family) 0.005 0.051 0.1046
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0291 0.0472
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0163 0.0117
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0481 0.4135
Echinococcus multilocularis neuroligin 0.005 0.051 0.0895
Mycobacterium tuberculosis Carboxylesterase LipT 0.005 0.051 0.0913
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.0618 0.1125
Echinococcus granulosus acetylcholinesterase 0.0296 0.4482 0.8559
Loa Loa (eye worm) hypothetical protein 0.005 0.0512 0.1049
Brugia malayi Carboxylesterase family protein 0.005 0.051 0.1138
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.0618 0.1103
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0481 0.3304
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0417 0.3518
Brugia malayi hypothetical protein 0.005 0.051 0.1138
Brugia malayi MH2 domain containing protein 0.0138 0.1924 0.4292
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0264
Loa Loa (eye worm) hypothetical protein 0.0087 0.1099 0.2373
Loa Loa (eye worm) hypothetical protein 0.005 0.051 0.1046
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0163 0.0117
Trypanosoma brucei DNA polymerase beta thumb, putative 0.009 0.1151 0.1109
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0417 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0638 1 1
Echinococcus granulosus carboxylesterase 5A 0.0296 0.4482 0.8559
Echinococcus granulosus histone acetyltransferase KAT2B 0.0159 0.2277 0.4304
Onchocerca volvulus 0.005 0.0512 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0087 0.1099 0.2373
Schistosoma mansoni neuroligin 3 (S09 family) 0.005 0.051 0.1046
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.009 0.1151 0.1109
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0163 0.1111
Echinococcus granulosus family S9 non peptidase ue S09 family 0.005 0.051 0.0895
Brugia malayi hypothetical protein 0.0036 0.0291 0.0649
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.09
Schistosoma mansoni gliotactin 0.005 0.051 0.1046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.09
Toxoplasma gondii hypothetical protein 0.003 0.0184 0.1043
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0087 0.1099 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0417 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0446 0.077
Brugia malayi Carboxylesterase family protein 0.005 0.051 0.1138
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0184 0.1305
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1924 0.4233
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.051 0.1046
Brugia malayi Carboxylesterase family protein 0.005 0.051 0.1138
Loa Loa (eye worm) acetyltransferase 0.0164 0.2351 0.5196
Mycobacterium tuberculosis Conserved hypothetical protein 0.0336 0.5127 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.051 0.1046

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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