Detailed information for compound 1261446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.539 | Formula: C18H34N2O3S
  • H donors: 2 H acceptors: 2 LogP: 3.84 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC(C)(C)C
  • InChi: 1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-6-4-5-9-13-24)16(21)19-14-10-7-8-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
  • InChiKey: NZIPOHHYINGNGY-HNNXBMFYSA-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 bromodomain adjacent to zinc finger domain 0.0067 0.1317 0.1343
Schistosoma mansoni hypothetical protein 0.0053 0.0907 0.0925
Entamoeba histolytica hypothetical protein 0.004 0.0505 0.139
Brugia malayi Ets-domain containing protein 0.0081 0.1752 0.1752
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0343 0.9753 0.9753
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0505 0.0515
Loa Loa (eye worm) hypothetical protein 0.0069 0.1393 0.1393
Brugia malayi histone deacetylase 3 (HD3) 0.0143 0.3634 0.3634
Loa Loa (eye worm) tumor suppressor 0.0351 1 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0261 0.0393
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0227 0.6224 0.6345
Schistosoma mansoni importin beta-1 0.0032 0.0261 0.0266
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0345 0.9809 0.9809
Schistosoma mansoni hypothetical protein 0.003 0.0181 0.0185
Loa Loa (eye worm) hypothetical protein 0.0343 0.9751 0.9751
Brugia malayi hypothetical protein 0.003 0.0181 0.0181
Plasmodium falciparum histone deacetylase 2 0.0241 0.6632 1
Echinococcus granulosus histone deacetylase 0.0241 0.6632 0.6762
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.0907 0.0925
Brugia malayi RNA, U transporter 1 0.0092 0.208 0.208
Loa Loa (eye worm) histone deacetylase 11 0.0088 0.1955 0.1955
Schistosoma mansoni histone deacetylase 4 5 0.0241 0.6632 0.6762
Echinococcus multilocularis expressed protein 0.0037 0.0417 0.0425
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0074 0.0111
Trypanosoma cruzi histone deacetylase, putative 0.0088 0.1955 0.2947
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.0907 0.0907
Brugia malayi Bromodomain containing protein 0.0043 0.0584 0.0584
Trypanosoma cruzi histone deacetylase 1, putative 0.0143 0.3634 0.5479
Schistosoma mansoni ets-related 0.0246 0.6798 0.6931
Plasmodium falciparum importin beta, putative 0.0032 0.0261 0.0393
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.2498 0.2547
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.1317 0.1343
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0143 0.3634 1
Echinococcus granulosus histone deacetylase 8 0.0088 0.1955 0.1993
Echinococcus multilocularis histone deacetylase 6 0.0241 0.6632 0.6762
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.0907 0.0907
Entamoeba histolytica hypothetical protein 0.004 0.0505 0.139
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0516 0.142
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0037 0.039 0.0588
Echinococcus granulosus expressed protein 0.0037 0.0417 0.0425
Plasmodium vivax histone deacetylase, putative 0.0088 0.1955 0.2947
Toxoplasma gondii peptidylprolyl isomerase 0.0037 0.039 0.0588
Echinococcus multilocularis histone deacetylase 6 0.0241 0.6632 0.6762
Schistosoma mansoni histone deacetylase 1 2 3 0.0088 0.1955 0.1993
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Entamoeba histolytica histone deacetylase, putative 0.0143 0.3634 1
Echinococcus multilocularis protein quaking 0.003 0.0181 0.0185
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0516 0.0778
Loa Loa (eye worm) hypothetical protein 0.0343 0.9753 0.9753
Mycobacterium ulcerans beta-lactamase 0.0041 0.0516 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.6632 1
Echinococcus granulosus histone deacetylase 6 0.0241 0.6632 0.6762
Echinococcus multilocularis GPCR, family 2 0.0053 0.0907 0.0925
Leishmania major histone deacetylase, putative 0.0241 0.6632 1
Trichomonas vaginalis esterase, putative 0.0041 0.0516 0.142
Loa Loa (eye worm) histone deacetylase 3 0.0143 0.3634 0.3634
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0516 0.0516
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0045 0.0046
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0516 0.0516
Echinococcus granulosus histone deacetylase 6 0.0256 0.7088 0.7226
Leishmania major hypothetical protein, conserved 0.0041 0.0516 0.0778
Brugia malayi histone deacetylase 11 0.0088 0.1955 0.1955
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0261 0.0393
Echinococcus granulosus histone deacetylase 1 0.0143 0.3634 0.3705
Schistosoma mansoni histone deacetylase 4 5 0.0241 0.6632 0.6762
Schistosoma mansoni hypothetical protein 0.0053 0.0907 0.0925
Trypanosoma brucei histone deacetylase 1 0.0143 0.3634 0.5479
Leishmania major histone deacetylase, putative 0.0241 0.6632 1
Trypanosoma brucei histone deacetylase 4 0.0241 0.6632 1
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Echinococcus granulosus importin subunit beta 1 0.0032 0.0261 0.0266
Schistosoma mansoni hypothetical protein 0.004 0.0505 0.0515
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.0907 0.0925
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Brugia malayi Histone deacetylase family protein 0.0241 0.6632 0.6632
Plasmodium falciparum histone deacetylase 1 0.0143 0.3634 0.5479
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0516 0.5
Loa Loa (eye worm) beta-lactamase 0.0041 0.0516 0.0516
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.2498 0.2547
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0261 0.0266
Brugia malayi Calcitonin receptor-like protein seb-1 0.0169 0.4436 0.4436
Plasmodium vivax histone deacetylase 1, putative 0.0143 0.3634 0.5479
Onchocerca volvulus 0.0343 0.9751 1
Schistosoma mansoni histone deacetylase hda2 0.0256 0.7088 0.7226
Echinococcus multilocularis geminin 0.019 0.5073 0.5172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2498 0.2547
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0516 0.0526
Toxoplasma gondii histone deacetylase HDAC1 0.0241 0.6632 1
Echinococcus granulosus GPCR family 2 0.0053 0.0907 0.0925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2498 0.2547
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0516 0.0778
Trichomonas vaginalis rotamase, putative 0.0037 0.039 0.1073
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.6632 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0516 0.0526
Brugia malayi histone deacetylase 1 (HD1) 0.0143 0.3634 0.3634
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0503 0.0513
Trypanosoma brucei histone deacetylase 3 0.0241 0.6632 1
Echinococcus granulosus protein quaking 0.003 0.0181 0.0185
Loa Loa (eye worm) hypothetical protein 0.0032 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0046 0.0668 0.0668
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0045 0.0046
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0505 0.0515
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0143 0.3634 1
Echinococcus granulosus GA binding protein alpha chain 0.0081 0.1752 0.1786
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0261 0.0393
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0037 0.039 0.0588
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0516 0.142
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Brugia malayi Importin beta-1 subunit 0.0032 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0143 0.3634 0.3634
Schistosoma mansoni hypothetical protein 0.0053 0.0907 0.0925
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.6632 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0088 0.1955 0.1955
Loa Loa (eye worm) fli-1 protein 0.0246 0.6798 0.6798
Brugia malayi Ets-domain containing protein 0.0081 0.1752 0.1752
Loa Loa (eye worm) transcription factor SMAD2 0.0269 0.7498 0.7498
Loa Loa (eye worm) histone deacetylase 7A 0.0241 0.6632 0.6632
Schistosoma mansoni hypothetical protein 0.019 0.5073 0.5172
Echinococcus granulosus histone deacetylase 3 0.0143 0.3634 0.3705
Trypanosoma cruzi histone deacetylase 1, putative 0.0143 0.3634 0.5479
Schistosoma mansoni histone deacetylase 0.0143 0.3634 0.3705
Echinococcus granulosus hypothetical protein 0.003 0.0181 0.0185
Entamoeba histolytica hypothetical protein 0.004 0.0505 0.139
Onchocerca volvulus Histone deacetylase 10 homolog 0.0088 0.1955 0.1558
Trichomonas vaginalis rotamase, putative 0.0037 0.0417 0.1147
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0106 0.2498 0.2498
Echinococcus multilocularis histone deacetylase 7 0.0241 0.6632 0.6762
Leishmania major histone deacetylase, putative 0.0143 0.3634 0.5479
Loa Loa (eye worm) hypothetical protein 0.0079 0.1694 0.1694
Plasmodium falciparum histone deacetylase, putative 0.0241 0.6632 1
Echinococcus granulosus snurportin 1 0.0345 0.9809 1
Giardia lamblia Histone deacetylase 0.0143 0.3634 1
Schistosoma mansoni hypothetical protein 0.019 0.5073 0.5172
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0045 0.0046
Trypanosoma brucei histone deacetylase, putative 0.0241 0.6632 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0143 0.3634 1
Brugia malayi hypothetical protein 0.0343 0.9751 0.9751
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.039 0.1073
Schistosoma mansoni hypothetical protein 0.0115 0.2803 0.2858
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0074 0.0203
Brugia malayi Bromodomain containing protein 0.0084 0.184 0.184
Echinococcus granulosus geminin 0.019 0.5073 0.5172
Trypanosoma brucei histone deacetylase 2 0.0088 0.1955 0.2947
Entamoeba histolytica hypothetical protein 0.0026 0.0074 0.0203
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.7212 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0516 0.0526
Echinococcus multilocularis histone deacetylase 1 0.0143 0.3634 0.3705
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0516 0.142
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0516 0.5
Schistosoma mansoni hypothetical protein 0.003 0.0181 0.0185
Brugia malayi beta-lactamase 0.0041 0.0516 0.0516
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0516 0.0778
Brugia malayi Fli-1 protein 0.0246 0.6798 0.6798
Echinococcus multilocularis histone deacetylase 8 0.0088 0.1955 0.1993
Toxoplasma gondii histone deacetylase HDAC4 0.0088 0.1955 0.2947
Mycobacterium ulcerans hypothetical protein 0.0041 0.0516 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0505 0.0515
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0169 0.4436 0.4436
Loa Loa (eye worm) hypothetical protein 0.0153 0.3951 0.3951
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0503 0.0513
Schistosoma mansoni hypothetical protein 0.0053 0.0907 0.0925
Echinococcus multilocularis histone deacetylase 6 0.0256 0.7088 0.7226
Brugia malayi Histone deacetylase family protein 0.0241 0.6632 0.6632
Loa Loa (eye worm) hypothetical protein 0.0092 0.21 0.21
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0074 0.0203
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0074 0.0203
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0081 0.1752 0.1752
Brugia malayi Latrophilin receptor protein 2 0.0053 0.0907 0.0907
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0092 0.21 0.578
Schistosoma mansoni bromodomain containing protein 0.0071 0.1439 0.1468
Schistosoma mansoni histone deacetylase hda2 0.0088 0.1955 0.1993
Leishmania major histone deacetylase, putative 0.0143 0.3634 0.5479
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0516 0.0526
Trichomonas vaginalis histone deacetylase, putative 0.0143 0.3634 1
Brugia malayi beta-lactamase family protein 0.0041 0.0516 0.0516
Brugia malayi hypothetical protein 0.004 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0417 0.0417
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0092 0.21 0.578
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0516 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0516 0.142
Leishmania major importin beta-1 subunit, putative 0.0026 0.0074 0.0111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.2498 0.2547
Plasmodium vivax histone deacetylase 2, putative 0.0241 0.6632 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0516 0.142
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.039 0.0588
Trypanosoma cruzi histone deacetylase, putative 0.0088 0.1955 0.2947
Schistosoma mansoni hypothetical protein 0.0345 0.9809 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.0181
Brugia malayi Histone deacetylase 1 0.0143 0.3634 0.3634
Loa Loa (eye worm) hypothetical protein 0.0115 0.2803 0.2803
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0181 0.0181
Entamoeba histolytica hypothetical protein 0.004 0.0505 0.139
Plasmodium vivax histone deacetylase, putative 0.0241 0.6632 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0227 0.6224 0.6345
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0417 0.1147
Brugia malayi PHD-finger family protein 0.0028 0.0126 0.0126
Echinococcus multilocularis snurportin 1 0.0345 0.9809 1
Schistosoma mansoni rotamase 0.0037 0.0417 0.0425
Echinococcus granulosus histone deacetylase 6 0.0241 0.6632 0.6762
Loa Loa (eye worm) MH2 domain-containing protein 0.0269 0.7498 0.7498
Loa Loa (eye worm) hypothetical protein 0.0053 0.0907 0.0907
Toxoplasma gondii histone deacetylase HDAC3 0.0143 0.3634 0.5479
Toxoplasma gondii histone deacetylase HDAC5 0.0088 0.1955 0.2947
Brugia malayi latrophilin 2 splice variant baaae 0.0115 0.2803 0.2803
Toxoplasma gondii histone deacetylase HDAC2 0.0143 0.3634 0.5479
Brugia malayi beta-lactamase family protein 0.0041 0.0516 0.0516
Echinococcus multilocularis GA binding protein alpha chain 0.0081 0.1752 0.1786
Mycobacterium leprae Probable lipase LipE 0.0041 0.0516 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2498 0.2547
Echinococcus multilocularis histone deacetylase 3 0.0143 0.3634 0.3705
Schistosoma mansoni histone deacetylase 0.0143 0.3634 0.3705
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0261 0.0393
Echinococcus multilocularis histone deacetylase 0.0241 0.6632 0.6762
Loa Loa (eye worm) hypothetical protein 0.0168 0.4407 0.4407
Loa Loa (eye worm) hypothetical protein 0.0048 0.0733 0.0733
Brugia malayi MH2 domain containing protein 0.0269 0.7498 0.7498
Loa Loa (eye worm) histone deacetylase 0.0241 0.6632 0.6632
Loa Loa (eye worm) hypothetical protein 0.0041 0.0516 0.0516
Schistosoma mansoni gabp alpha 0.0081 0.1752 0.1786
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0417 0.0417
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0106 0.2498 0.2498
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.2498 0.2547
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.039 0.0588
Echinococcus granulosus histone deacetylase 7 0.0241 0.6632 0.6762
Toxoplasma gondii ABC1 family protein 0.0041 0.0516 0.0778
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0516 0.0778
Mycobacterium ulcerans lipase LipD 0.0041 0.0516 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0143 0.3634 0.3634

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 60 % Inhibition of recombinant human HDAC6 at 1 uM using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis ChEMBL. 20947351

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

1 literature reference was collected for this gene.

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