Detailed information for compound 1476608

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.4 | Formula: C14H22N2O5S
  • H donors: 4 H acceptors: 5 LogP: -1.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]([C@@H](c1ccccc1)O)NC(=O)[C@H](CCS(=O)(=O)C)N
  • InChi: 1S/C14H22N2O5S/c1-22(20,21)8-7-11(15)14(19)16-12(9-17)13(18)10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9,15H2,1H3,(H,16,19)/t11-,12+,13+/m0/s1
  • InChiKey: HFPNNJMCMVGPFT-YNEHKIRRSA-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
Onchocerca volvulus 0.002 0.0113 0.5
Echinococcus multilocularis dna polymerase eta 0.0019 0.0075 0.0075
Schistosoma mansoni zinc finger protein 0.0023 0.0181 0.0426
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0386 1 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.002 0.0113 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.002 0.0113 0.0038
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.2281 0.2281
Schistosoma mansoni hypothetical protein 0.0035 0.0517 0.1219
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0075 0.0178
Giardia lamblia Kinesin-5 0.0026 0.0263 0.3304
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.073 0.073
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.013 0.013
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0053 0.0993 0.0993
Echinococcus multilocularis 0.002 0.0113 0.0113
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0075 0.0075
Brugia malayi PHD-finger family protein 0.0028 0.0322 0.0322
Mycobacterium tuberculosis Possible oxidoreductase 0.002 0.0113 0.0056
Loa Loa (eye worm) hypothetical protein 0.0051 0.094 0.094
Brugia malayi hypothetical protein 0.0025 0.0235 0.0235
Schistosoma mansoni amine oxidase 0.002 0.0113 0.0267
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.7349 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0235 0.1772
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.01 0.2281 0.2281
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0235 0.1772
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0267 0.68 1
Mycobacterium ulcerans monoamine oxidase 0.002 0.0113 0.0052
Echinococcus granulosus expressed conserved protein 0.0094 0.2116 0.2116
Echinococcus multilocularis protein patched 0.0043 0.073 0.073
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.7349 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0235 0.0161
Schistosoma mansoni kinesin eg-5 0.0026 0.0263 0.062
Brugia malayi hypothetical protein 0.0035 0.0517 0.0517
Echinococcus granulosus dna polymerase eta 0.0019 0.0075 0.0075
Mycobacterium ulcerans oxidoreductase 0.002 0.0113 0.0052
Schistosoma mansoni patched 1 0.0043 0.073 0.1723
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0075 0.0075
Entamoeba histolytica hypothetical protein 0.0035 0.0517 0.2001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1242 0.1242
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0016 0.0016
Plasmodium vivax kinesin-5 0.0026 0.0263 0.2171
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0161 0.038
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.002 0.0113 0.0267
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0517 0.0517
Entamoeba histolytica hypothetical protein 0.0035 0.0517 0.2001
Echinococcus granulosus Protein patched homolog 1 0.0043 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0019 0.0075 0.0075
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.2281 0.2281
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0161 0.0161
Echinococcus multilocularis kinesin family 1 0.0199 0.4938 0.4938
Schistosoma mansoni amine oxidase 0.002 0.0113 0.0267
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0113 0.0056
Loa Loa (eye worm) hypothetical protein 0.0045 0.0791 0.0791
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0075 0.0178
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.073 0.073
Echinococcus multilocularis mitogen activated protein kinase 14 0.0386 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0235 0.231
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0235 0.231
Schistosoma mansoni hypothetical protein 0.0173 0.424 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0803 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0515 0.0515
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.073 0.073
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0161 0.0161
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0113 0.0113
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0517 0.0517
Brugia malayi Bromodomain containing protein 0.0077 0.1647 0.1647
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.094 0.094
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0505 0.0505
Schistosoma mansoni DNA polymerase eta 0.0019 0.0075 0.0178
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.0263 0.2171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0016 0.0038
Echinococcus multilocularis zinc finger protein 0.0023 0.0181 0.0181
Schistosoma mansoni hypothetical protein 0.0035 0.0505 0.1191
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0075 0.0075
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.3626 0.3626
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0803 0.0803
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0803 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0643 1
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.3447 0.3447
Brugia malayi Bromodomain containing protein 0.0041 0.0676 0.0676
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.3451 0.3451
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.094 0.094
Loa Loa (eye worm) acetyltransferase 0.015 0.3626 0.3626
Echinococcus granulosus dna polymerase kappa 0.0019 0.0075 0.0075
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0643 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.094 0.094
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0386 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0016 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.073 0.8998
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0017 0.0016 0.0016
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0386 1 1
Schistosoma mansoni hypothetical protein 0.002 0.0111 0.0261
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.073 0.073
Schistosoma mansoni hypothetical protein 0.0042 0.0688 0.1624
Schistosoma mansoni hypothetical protein 0.0042 0.0688 0.1624
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0643 0.2572
Brugia malayi hypothetical protein 0.002 0.0113 0.0113
Schistosoma mansoni Lysine-specific histone demethylase 1 0.002 0.0113 0.0267
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0016 0.0016
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.0113 0.0113
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0038 0.058 0.058
Loa Loa (eye worm) hypothetical protein 0.0069 0.1436 0.1436
Echinococcus multilocularis lysine specific histone demethylase 1A 0.002 0.0113 0.0113
Echinococcus granulosus zinc finger protein 0.0023 0.0181 0.0181
Entamoeba histolytica hypothetical protein 0.0035 0.0517 0.2001
Mycobacterium ulcerans dehydrogenase 0.002 0.0113 0.0052
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.2281 0.2281
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.002 0.0113 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0517 0.2001
Loa Loa (eye worm) hypothetical protein 0.0025 0.0235 0.0235
Echinococcus multilocularis protein dispatched 1 0.0049 0.0895 0.0895
Schistosoma mansoni hypothetical protein 0.0042 0.0688 0.1624
Leishmania major hypothetical protein, conserved 0.0025 0.0235 0.0161
Entamoeba histolytica kinesin, putative 0.0026 0.0263 0.085
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0803 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0386 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1242 0.1242
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0803 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.3447 0.3447
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0263 0.0263
Schistosoma mansoni bromodomain containing protein 0.0065 0.1337 0.3153
Echinococcus multilocularis mitogen activated protein kinase 14 0.0386 1 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0263 0.0263
Echinococcus multilocularis expressed conserved protein 0.0094 0.2116 0.2116
Loa Loa (eye worm) hypothetical protein 0.0043 0.0741 0.0741
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0038
Leishmania major UDP-galactopyranose mutase 0.002 0.0113 0.0038
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0042 0.0688 0.1624
Echinococcus granulosus mitogen activated protein kinase 11 0.0386 1 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0386 1 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0386 1 1
Echinococcus granulosus kinesin family 1 0.0199 0.4938 0.4938
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0386 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0235 0.0161
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Echinococcus multilocularis protoporphyrinogen oxidase 0.002 0.0113 0.0113
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0235 0.0161
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.2323 0.5479
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0016 0.0016
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0016 0.0016
Brugia malayi CHE-14 protein 0.0043 0.073 0.073
Mycobacterium ulcerans protoporphyrinogen oxidase 0.002 0.0113 0.0052
Brugia malayi SWIRM domain containing protein 0.002 0.0113 0.0113
Trypanosoma cruzi UDP-galactopyranose mutase 0.002 0.0113 0.0038
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0517 0.1219
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0803 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.3626 0.3626
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0038
Plasmodium falciparum kinesin-5 0.0026 0.0263 0.2829
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.3626 0.8552
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.2281 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0386 1 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0111 0.0111

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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