Detailed information for compound 769857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.426 | Formula: C21H24N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN1C(c2ccco2)C(=C(C1=O)O)C(=O)c1ccc(cc1)C)C
  • InChi: 1S/C21H24N2O4/c1-14-7-9-15(10-8-14)19(24)17-18(16-6-4-13-27-16)23(21(26)20(17)25)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3
  • InChiKey: SQMKVMCKBPAFLJ-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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0918 0.0866
Schistosoma mansoni bromodomain containing protein 0.0064 0.1555 0.1648
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0435 0.6067
Brugia malayi RNA, U transporter 1 0.0083 0.215 0.6117
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.2 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0716 1
Schistosoma mansoni importin beta-1 0.0029 0.0435 0.0461
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1041 0.1103
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.3729 0.3693
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0918 0.0866
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.9435 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1439 0.139
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0668 0.0615
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0259 0.3611
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0716 0.1645
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0189 0.0133
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.2 1
Brugia malayi MH2 domain containing protein 0.0122 0.3394 1
Brugia malayi Bromodomain containing protein 0.0039 0.0745 0.1735
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0918 0.0866
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1759 0.1864
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.3415 0.3377
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0716 0.0663
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.2 0.212
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.114 0.109
Echinococcus multilocularis tar DNA binding protein 0.0071 0.1759 0.1712
Schistosoma mansoni ran 0.0021 0.0189 0.02
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.2 0.1954
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0189 0.0133
Schistosoma mansoni thyroid hormone receptor 0.0132 0.3729 0.3952
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0435 0.1356
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.114 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.1759 0.4898
Loa Loa (eye worm) hypothetical protein 0.0043 0.0886 0.0884
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0716 0.0703
Schistosoma mansoni ap endonuclease 0.0038 0.0716 0.0759
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0435 0.6067
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0918 0.2275
Brugia malayi RNA binding protein 0.0071 0.1759 0.4898
Brugia malayi Importin beta-1 subunit 0.0029 0.0435 0.0766
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0668 0.0615
Echinococcus multilocularis snurportin 1 0.0311 0.9435 0.9432
Brugia malayi TAR-binding protein 0.0071 0.1759 0.4898
Schistosoma mansoni hypothetical protein 0.0123 0.3415 0.3619
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0716 1
Schistosoma mansoni zinc finger protein 0.002 0.0139 0.0147
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1759 0.1864
Echinococcus granulosus tar DNA binding protein 0.0071 0.1759 0.1712
Plasmodium falciparum importin beta, putative 0.0029 0.0435 0.1356
Toxoplasma gondii hypothetical protein 0.0027 0.0364 0.0967
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0716 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1041 0.1049
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.114 0.109
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0364 0.0967
Schistosoma mansoni ran 0.0021 0.0189 0.02
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0364 0.0967
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0716 0.2153
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0235 0.0249
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0716 0.2912
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0918 0.0866
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0235 0.0179
Echinococcus granulosus importin subunit beta 1 0.0029 0.0435 0.038
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0435 0.038
Brugia malayi Bromodomain containing protein 0.0076 0.1934 0.5445
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2 0.2072
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.3415 0.3377
Brugia malayi Probable ClpP-like protease 0.0078 0.2 0.565
Toxoplasma gondii exonuclease III APE 0.0038 0.0716 0.2912
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0259 0.1321
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.3394 0.3558
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.114 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.114 0.4744
Schistosoma mansoni thyroid hormone receptor 0.0132 0.3729 0.3952
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0716 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0716 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1759 0.1864
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.2 1
Onchocerca volvulus 0.0048 0.1041 0.5
Brugia malayi PHD-finger family protein 0.0025 0.0311 0.0382
Plasmodium vivax importin-beta 2, putative 0.0029 0.0435 0.1356
Schistosoma mansoni hypothetical protein 0.0311 0.9435 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0057 0.006
Loa Loa (eye worm) hypothetical protein 0.0039 0.0747 0.0736
Loa Loa (eye worm) hypothetical protein 0.0041 0.0824 0.0818
Entamoeba histolytica hypothetical protein 0.0024 0.0259 0.1321
Loa Loa (eye worm) hypothetical protein 0.0072 0.1796 0.1854
Echinococcus granulosus zinc finger protein 0.002 0.0139 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1759 0.1864
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.3394 0.3558
Echinococcus granulosus snurportin 1 0.0311 0.9435 0.9432
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1759 0.1864
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0716 0.0663
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0716 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0918 0.0918
Schistosoma mansoni ap endonuclease 0.0038 0.0716 0.0759
Echinococcus multilocularis zinc finger protein 0.002 0.0139 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0918 0.0973
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0077 0.0021
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0189 0.2639
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0057 0.006
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 0.5
Leishmania major importin beta-1 subunit, putative 0.0024 0.0259 0.3611
Schistosoma mansoni hypothetical protein 0.0021 0.0173 0.0183
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0716 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0918 0.0973
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0918 0.0973
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0716 0.2912
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0716 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0435 0.0403
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0189 0.2639
Loa Loa (eye worm) RNA binding protein 0.0071 0.1759 0.1815
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0057 0.006
Leishmania major GTP-binding protein, putative 0.0021 0.0189 0.2639
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0259 0.1321
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1439 0.139
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0235 0.0179
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0189 0.0141
Echinococcus multilocularis tumor protein p63 0.0329 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0173 0.0124
Loa Loa (eye worm) TAR-binding protein 0.0071 0.1759 0.1815
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.2 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.1759 0.1815
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.2 0.1954
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0057 0.006
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0259 0.1321
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0189 0.2639
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.2 1

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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