Detailed information for compound 904648

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.556 | Formula: C24H28N2O3S
  • H donors: 0 H acceptors: 2 LogP: 3.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CC[C@@H]2[C@H](C1)CCCN2C(=O)C=Cc1cccs1)CCOc1ccccc1
  • InChi: 1S/C24H28N2O3S/c27-23(13-16-29-20-7-2-1-3-8-20)25-15-12-22-19(18-25)6-4-14-26(22)24(28)11-10-21-9-5-17-30-21/h1-3,5,7-11,17,19,22H,4,6,12-16,18H2/b11-10+/t19-,22+/m1/s1
  • InChiKey: LIZYQXRAAXZNAL-MIYJXHNBSA-N  

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 granulosus ferritin 0.0009 0.0001 0.0001
Onchocerca volvulus 0.0095 0.1886 0.3107
Onchocerca volvulus 0.0054 0.0984 0.1121
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1104 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1847 0.1847
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0619 0.0619
Trichomonas vaginalis esterase, putative 0.0037 0.0619 0.1234
Brugia malayi Pre-SET motif family protein 0.0031 0.0476 0.0439
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.1551 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 1
Schistosoma mansoni hypothetical protein 0.0023 0.0311 0.0884
Schistosoma mansoni lamin 0.0054 0.0984 0.2796
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.095 0.095
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0619 0.1759
Schistosoma mansoni apoferritin-2 0.0009 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0053 0.0963 0.0925
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1104 0.2208
Mycobacterium ulcerans hypothetical protein 0.0037 0.0619 0.3991
Onchocerca volvulus 0.0037 0.0619 0.0316
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.095 0.1899
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0168 0.0168
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0476 0.0598
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Schistosoma mansoni cpg binding protein 0.0033 0.0527 0.1497
Brugia malayi intermediate filament protein 0.0054 0.0984 0.0949
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.1551 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0932 0.4585
Mycobacterium tuberculosis Conserved protein 0.0037 0.0619 0.1238
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0168 0.0129
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.2572 0.2543
Brugia malayi beta-lactamase 0.0037 0.0619 0.0583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0619 0.1759
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0619 0.058
Brugia malayi Pre-SET motif family protein 0.0209 0.4384 0.4362
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0984 0.0949
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0437 0.0437
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0619 0.0583
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0476 0.1352
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.1391 0.395
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1847 0.1815
Echinococcus granulosus expressed protein 0.0009 0.0001 0.0001
Echinococcus multilocularis lamin dm0 0.0054 0.0984 0.0984
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1847 0.1847
Brugia malayi hypothetical protein 0.0072 0.1391 0.1357
Schistosoma mansoni ferritin 0.0009 0.0001 0.0002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 0.712
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1104 0.3136
Echinococcus granulosus lamin 0.0054 0.0984 0.0984
Echinococcus granulosus lamin dm0 0.0054 0.0984 0.0984
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1847 0.1813
Trichomonas vaginalis set domain proteins, putative 0.0238 0.5014 1
Schistosoma mansoni hypothetical protein 0.0016 0.0168 0.0477
Echinococcus multilocularis geminin 0.017 0.3521 0.3521
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0619 0.1234
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0156 0.3227 0.3199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0948 0.0913
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1104 0.3136
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0932 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2572 0.7305
Schistosoma mansoni hypothetical protein 0.017 0.3521 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1122 0.6248
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0127
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.1391 0.1391
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.1551 0.1551
Schistosoma mansoni survival motor neuron protein 0.0095 0.1886 0.5356
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.2572 0.2541
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2572 0.7305
Loa Loa (eye worm) hypothetical protein 0.0036 0.0587 0.0548
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0168 0.0168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1847 0.5245
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0932 0.4585
Echinococcus multilocularis GPCR, family 2 0.0016 0.0168 0.0168
Echinococcus multilocularis expressed protein 0.0009 0.0001 0.0001
Brugia malayi Probable ClpP-like protease 0.008 0.1551 0.1518
Schistosoma mansoni ferritin 0.0009 0.0001 0.0002
Mycobacterium tuberculosis Conserved protein 0.0037 0.0619 0.1238
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0619 0.1238
Brugia malayi CXXC zinc finger family protein 0.0031 0.0488 0.0451
Echinococcus multilocularis muscleblind protein 1 0.0156 0.3227 0.3227
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0984 0.0947
Brugia malayi beta-lactamase family protein 0.0037 0.0619 0.0583
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0168 0.0127
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0476 0.1352
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0619 0.3991
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.1391 0.1391
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1847 0.1847
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1104 0.6096
Onchocerca volvulus 0.0054 0.0984 0.1121
Brugia malayi Muscleblind-like protein 0.0156 0.3227 0.3201
Schistosoma mansoni hypothetical protein 0.0036 0.0587 0.1667
Schistosoma mansoni hypothetical protein 0.0016 0.0168 0.0477
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.4384 0.436
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2572 0.7305
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0619 0.1238
Toxoplasma gondii ABC1 family protein 0.0037 0.0619 0.1853
Echinococcus multilocularis lamin 0.0054 0.0984 0.0984
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0168 0.0477
Schistosoma mansoni hypothetical protein 0.0016 0.0168 0.0477
Echinococcus multilocularis survival motor neuron protein 1 0.0466 1 1
Schistosoma mansoni ferritin 0.0009 0.0001 0.0002
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1551 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0932 0.4585
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Mycobacterium tuberculosis Conserved protein 0.0037 0.0619 0.1238
Loa Loa (eye worm) hypothetical protein 0.0051 0.0932 0.0894
Onchocerca volvulus 0.0031 0.0488 0.0027
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.1551 0.1551
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0948 0.0913
Schistosoma mansoni hypothetical protein 0.0095 0.1886 0.5356
Loa Loa (eye worm) TAR-binding protein 0.0126 0.2572 0.2541
Loa Loa (eye worm) beta-lactamase 0.0037 0.0619 0.058
Brugia malayi hypothetical protein 0.0051 0.0932 0.0896
Loa Loa (eye worm) hypothetical protein 0.0466 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0168 0.0129
Brugia malayi TAR-binding protein 0.0126 0.2572 0.2543
Loa Loa (eye worm) hypothetical protein 0.0026 0.0375 0.0335
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0476 0.0476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1847 0.5245
Echinococcus granulosus tar DNA binding protein 0.0126 0.2572 0.2572
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0619 0.1234
Mycobacterium ulcerans beta-lactamase 0.0037 0.0619 0.3991
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.095 0.095
Schistosoma mansoni ferritin 0.0009 0.0001 0.0002
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0932 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0168 0.0168
Mycobacterium leprae Probable lipase LipE 0.0037 0.0619 0.3991
Schistosoma mansoni cpg binding protein 0.0033 0.0527 0.1497
Leishmania major hypothetical protein, conserved 0.0051 0.0932 0.644
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0052 0.0948 0.091
Entamoeba histolytica hypothetical protein 0.0072 0.1391 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 1
Schistosoma mansoni hypothetical protein 0.0072 0.1391 0.395
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0168 0.0168
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0619 0.1238
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Onchocerca volvulus 0.0037 0.0619 0.0316
Schistosoma mansoni cpg binding protein 0.0031 0.0488 0.1386
Loa Loa (eye worm) RNA binding protein 0.0126 0.2572 0.2541
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0476 0.1352
Schistosoma mansoni intermediate filament proteins 0.0054 0.0984 0.2796
Echinococcus multilocularis musashi 0.0054 0.0984 0.0984
Schistosoma mansoni ferritin light chain 0.0009 0.0001 0.0002
Entamoeba histolytica hypothetical protein 0.0072 0.1391 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0476 0.0436
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2424 0.2392
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0932 0.4585
Brugia malayi hypothetical protein 0.0033 0.0533 0.0496
Plasmodium vivax SET domain protein, putative 0.0031 0.0476 0.0598
Echinococcus granulosus muscleblind protein 0.0156 0.3227 0.3227
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0619 0.1238
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0476 0.0476
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1847 0.1847
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0476 0.1352
Echinococcus granulosus cpg binding protein 0.0033 0.0527 0.0527
Mycobacterium ulcerans lipase LipD 0.0037 0.0619 0.3991
Echinococcus granulosus survival motor neuron protein 1 0.0466 1 1
Entamoeba histolytica hypothetical protein 0.0072 0.1391 0.5
Echinococcus multilocularis cpg binding protein 0.0033 0.0527 0.0527
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0488 0.0448
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0619 0.1238
Entamoeba histolytica hypothetical protein 0.0072 0.1391 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1551 1
Schistosoma mansoni lamin 0.0054 0.0984 0.2796
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.095 0.6123
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 0.712
Echinococcus granulosus GPCR family 2 0.0016 0.0168 0.0168
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0948 0.091
Schistosoma mansoni ferritin light chain 0.0009 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.017 0.3521 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0619 0.1234
Loa Loa (eye worm) hypothetical protein 0.0025 0.0353 0.0313
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0619 0.3991
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1847 0.5245
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2424 0.2392
Loa Loa (eye worm) hypothetical protein 0.0156 0.3227 0.3199
Onchocerca volvulus 0.0238 0.5014 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.1886 0.1854
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Onchocerca volvulus 0.0037 0.0619 0.0316
Brugia malayi beta-lactamase family protein 0.0037 0.0619 0.0583
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0619 0.1238
Echinococcus multilocularis tar DNA binding protein 0.0126 0.2572 0.2572
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1104 0.1104
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 0.712
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0619 0.3991
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.1551 0.4404
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0587 0.055
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0984 0.0947
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0932 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0984 0.0947
Brugia malayi MH2 domain containing protein 0.012 0.2424 0.2394
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0438 0.04
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0407 0.2624
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0619 0.1234
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0619 0.1853
Echinococcus granulosus geminin 0.017 0.3521 0.3521
Brugia malayi RNA binding protein 0.0126 0.2572 0.2543
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1104 0.1104
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0375 0.0375
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.095 0.1899
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0619 0.1238
Loa Loa (eye worm) hypothetical protein 0.0025 0.0353 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2572 0.7305
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2572 0.7305
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0619 0.1234
Echinococcus multilocularis ferritin 0.0009 0.0001 0.0001
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.1551 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.008 0.1551 0.1515
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0042
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0407 0.2624
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.058
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1276 0.3624
Echinococcus granulosus intermediate filament protein 0.0054 0.0984 0.0984
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.4998 1
Schistosoma mansoni apoferritin-2 0.0009 0.0001 0.0002
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0438 0.0398
Echinococcus multilocularis muscleblind protein 0.0156 0.3227 0.3227
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0619 0.0619

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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