Detailed information for compound 1835544

Basic information

Technical information
  • TDR Targets ID: 1835544
  • Name: N-[6-(butanoylamino)hexyl]butanamide
  • MW: 256.384 | Formula: C14H28N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.94 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NCCCCCCNC(=O)CCC
  • InChi: 1S/C14H28N2O2/c1-3-9-13(17)15-11-7-5-6-8-12-16-14(18)10-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
  • InChiKey: VLOWJRRWUWYFOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6-(1-oxobutylamino)hexyl]butanamide
  • N-(6-butyramidohexyl)butyramide
  • ST040181
  • ARONIS003372

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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0078 0.066 0.188
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.0206 0.0846
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0206 0.0474
Onchocerca volvulus 0.0145 0.147 0.4643
Mycobacterium ulcerans Type I modular polyketide synthase 0.0155 0.1594 0.603
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0053 0.0358 0.1419
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0048 0.029 0.1149
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0515 0.143
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0206 0.0113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.018 0.1698
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.01 0.0933 0.5451
Toxoplasma gondii type I fatty acid synthase, putative 0.011 0.1052 0.6145
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0082 0.0477
Mycobacterium ulcerans polyketide synthase MbtD 0.0048 0.029 0.047
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.018 0.1698
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0206 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0292 0.1318
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.066 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0206 0.0154
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0206 0.0846
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0278 0.0573
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0039 0.0184 0.0017
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0039 0.0184 0.2159
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0515 0.2553
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0078 0.0663 0.3874
Mycobacterium ulcerans Type I modular polyketide synthase 0.0155 0.1594 0.603
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Trypanosoma brucei unspecified product 0.0041 0.0206 0.253
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Mycobacterium leprae Polyketide synthase Pks13 0.0231 0.2525 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.0515 0.1791
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0124 0.1226 0.4856
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0053 0.0186
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0039 0.0184 0.0017
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.018 0.07
Echinococcus granulosus dna polymerase eta 0.0041 0.0206 0.0846
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0129 0.128 0.5069
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0078 0.066 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0515 0.2553
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.066 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0049 0.0303 0.1198
Echinococcus multilocularis ubiquitin specific protease 41 0.0078 0.066 0.061
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0145 0.147 0.5823
Mycobacterium ulcerans fatty acid synthase Fas 0.0049 0.0303 0.0524
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0515 0.1791
Loa Loa (eye worm) hypothetical protein 0.026 0.2874 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0129 0.128 0.5069
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0185 0.1962 0.5914
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0292 0.0239
Echinococcus granulosus tar DNA binding protein 0.0066 0.0515 0.2553
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0206 0.2156
Mycobacterium leprae Probable polyketide synthase Pks1 0.0164 0.1711 0.6776
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Echinococcus granulosus geminin 0.0177 0.1861 1
Brugia malayi hypothetical protein 0.003 0.0082 0.0088
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0078 0.066 0.061
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.066 0.2791
Mycobacterium tuberculosis Polyketide synthase Pks2 0.015 0.1536 0.6084
Loa Loa (eye worm) hypothetical protein 0.0185 0.1962 0.6825
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.2296
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0039 0.0184 0.0639
Schistosoma mansoni inositol monophosphatase 0.0039 0.018 0.07
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0164 0.1711 0.6776
Mycobacterium ulcerans Type I modular polyketide synthase 0.0155 0.1594 0.603
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0111 0.1064 0.4212
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0206 0.253
Mycobacterium ulcerans thioesterase 0.0129 0.128 0.4691
Brugia malayi Methyltransferase-like protein 4 0.0047 0.0278 0.0697
Schistosoma mansoni DNA polymerase eta 0.0041 0.0206 0.0846
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0053 0.0186
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0039 0.0184 0.5
Echinococcus granulosus dna polymerase kappa 0.0041 0.0206 0.0846
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0078 0.066 1
Mycobacterium ulcerans thioesterase TesA 0.0129 0.128 0.4691
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0206 0.2156
Schistosoma mansoni hypothetical protein 0.0177 0.1861 1
Mycobacterium ulcerans polyketide synthase MbtC 0.0039 0.0184 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0292 0.1318
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0039 0.0184 1
Mycobacterium ulcerans polyketide synthase 0.0164 0.1711 0.6528
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.066 1
Brugia malayi TAR-binding protein 0.0066 0.0515 0.143
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0102 0.0956 0.3311
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0231 0.2525 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0164 0.1711 0.6528
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0088 0.0782 0.3095
Onchocerca volvulus Fatty acid synthase homolog 0.0279 0.3105 1
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.018 0.0127
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0206 0.0474
Loa Loa (eye worm) hypothetical protein 0.0028 0.0053 0.0186
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0515 0.2553
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0124 0.1226 0.4461
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0206 0.2156
Loa Loa (eye worm) inositol-1 0.0039 0.018 0.0626
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0127 0.1251 0.4954
Brugia malayi AMP-binding enzyme family protein 0.0048 0.029 0.0734
Mycobacterium tuberculosis Hypothetical protein 0.0047 0.0278 0.1102
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.0206 0.0785
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0082 0.0478
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0293 0.328 1
Giardia lamblia Methyltransferase like 2 0.0047 0.0278 0.1589
Loa Loa (eye worm) fatty acid synthase 0.0153 0.1569 0.5459
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0164 0.1711 0.6528
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0039 0.0184 0.0721
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.015 0.1536 0.6084
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0155 0.1594 0.6312
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0206 0.0817
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0206 0.2156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0292 0.1318
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.0206 0.0718
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0038 0.0171 0.0678
Toxoplasma gondii type I fatty acid synthase, putative 0.0164 0.1711 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0292 0.0239
Leishmania major DNA polymerase eta, putative 0.0041 0.0206 0.2156
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0039 0.0184 1
Mycobacterium tuberculosis Conserved protein 0.0047 0.0278 0.1102
Brugia malayi hypothetical protein 0.0038 0.0168 0.0354
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.0206 0.2156
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0206 0.253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0206 0.2156
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0078 0.066 0.3355
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.066 0.2791
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0078 0.066 0.061
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0515 0.2553
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0078 0.066 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0155 0.1594 0.4775
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.018 0.0247
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0039 0.0184 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0292 0.1014
Schistosoma mansoni methyltransferase-related 0.0047 0.0278 0.1245
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0039 0.0184 0.1766
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0155 0.1594 0.6312
Brugia malayi AMP-binding enzyme family protein 0.0145 0.147 0.4392
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0039 0.0184 0.1074
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0039 0.0184 0.1766
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0039 0.0184 0.0404
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0164 0.1711 0.6776
Schistosoma mansoni inositol monophosphatase 0.0039 0.018 0.07
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.018 0.2094
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0102 0.0956 0.3787
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0292 0.1318
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0063 0.0473 0.1871
Onchocerca volvulus 0.0269 0.2988 0.9617
Loa Loa (eye worm) hypothetical protein 0.0041 0.0206 0.0718
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0039 0.0184 0.1766
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0078 0.066 0.3355
Brugia malayi Inositol-1 0.0039 0.018 0.0392
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.018 0.1698
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0206 0.0154
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0078 0.066 0.3355
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0164
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0292 0.0738
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0155 0.1594 0.603
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Echinococcus multilocularis geminin 0.0177 0.1861 0.1818
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0131 0.0518
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0145 0.147 0.5116
Mycobacterium ulcerans polyketide synthase Pks13 0.0231 0.2525 1
Mycobacterium ulcerans polyketide synthase 0.0155 0.1594 0.603
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0164 0.1711 0.6776
Loa Loa (eye worm) acyl carrier protein 0.0071 0.0577 0.2007
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0515 0.2553
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0515 0.1791
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.066 0.2791
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0206 0.253
Loa Loa (eye worm) hypothetical protein 0.0087 0.0766 0.2665
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0206 0.253
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.0206 0.0817
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0206 0.0154
Echinococcus multilocularis dna polymerase eta 0.0041 0.0206 0.0154
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0155 0.1594 0.6312
Leishmania major hypothetical protein, conserved 0.0047 0.0278 0.3402
Brugia malayi RNA binding protein 0.0066 0.0515 0.143
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0049 0.0303 0.1198
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.018 0.1051
Schistosoma mansoni hypothetical protein 0.0038 0.0168 0.0632
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0168 0.0632
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0039 0.0184 0.0131
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0155 0.1594 0.6312
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0131 0.0518
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0164 0.1711 0.6776
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0164 0.1711 0.6776
Leishmania major DNA polymerase kappa, putative 0.0041 0.0206 0.2156
Trichomonas vaginalis conserved hypothetical protein 0.018 0.19 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0155 0.1594 0.6312
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0078 0.066 0.3355
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0168 0.0115
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.0206 0.0154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0292 0.1318
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0039 0.0184 0.0721
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.0206 0.0846
Schistosoma mansoni hypothetical protein 0.0177 0.1861 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0082 0.0284
Mycobacterium ulcerans polyketide synthase Pks9 0.0102 0.0956 0.3311
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0124 0.1226 0.4461
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0206 0.253
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0168 0.0632
Echinococcus granulosus ubiquitin specific protease 41 0.0078 0.066 0.3355
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0515 0.0464
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0231 0.2525 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Induction of HEXIM1 protein expression in human LNCAP cells after 24 hrs by Western blotting analysis ChEMBL. 24503105
FC (binding) = 1.23 Induction of HEXIM1 protein expression in human LNCAP cells at 100 uM after 24 hrs by Western blotting analysis relative to control ChEMBL. 24503105
FC (binding) = 4.89 Induction of HEXIM1 protein expression in human LNCAP cells at 500 uM after 24 hrs by Western blotting analysis relative to control ChEMBL. 24503105

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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