Detailed information for compound 1003515

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1129.57 | Formula: C64H100N14O4
  • H donors: 10 H acceptors: 6 LogP: 2.66 Rotable bonds: 44
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCNCCCCN(C(=O)CCCCNC(=O)CCC1=C(C)/C/2=C/c3[nH]c(c(c3C)C=C)/C=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CCC(=O)NCCCCC(=O)N(CCCCNCCCN)CCCN)c4C)C(=C3C)C=C)CCCN
  • InChi: 1S/C64H100N14O4/c1-7-49-45(3)53-41-54-47(5)51(23-25-61(79)71-35-11-9-21-63(81)77(39-19-29-67)37-15-13-31-69-33-17-27-65)59(75-54)44-60-52(48(6)56(76-60)43-58-50(8-2)46(4)55(74-58)42-57(49)73-53)24-26-62(80)72-36-12-10-22-64(82)78(40-20-30-68)38-16-14-32-70-34-18-28-66/h7-8,41-44,69-70,73,76H,1-2,9-40,65-68H2,3-6H3,(H,71,79)(H,72,80)/b53-41-,54-41-,55-42-,56-43-,57-42-,58-43-,59-44-,60-44-
  • InChiKey: QTTLKIGOHALHNU-KUADXKIXSA-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
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0012 0.0035
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1952 0.3633
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0305 0.2197
Schistosoma mansoni tar DNA-binding protein 0.0124 0.256 0.7369
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0712 0.1376
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Schistosoma mansoni hypothetical protein 0.0031 0.0448 0.1289
Brugia malayi RNA binding protein 0.0124 0.256 0.4772
Echinococcus granulosus chromobox protein 1 0.007 0.1344 0.1344
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0644 0.1243
Echinococcus granulosus chromobox protein 1 0.007 0.1344 0.1344
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0425 0.3095
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.1347 0.5
Loa Loa (eye worm) hypothetical protein 0.0248 0.535 1
Onchocerca volvulus 0.0031 0.0451 0.0864
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.2946 0.2946
Echinococcus multilocularis chromobox protein 1 0.007 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Schistosoma mansoni hypothetical protein 0.0131 0.2709 0.7797
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2946 0.8481
Brugia malayi SET domain containing protein 0.0013 0.0037 0.0046
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0712 0.1376
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1347 0.2624
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1347 0.3876
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0644 0.1243
Brugia malayi TAR-binding protein 0.0124 0.256 0.4772
Trichomonas vaginalis set domain proteins, putative 0.0237 0.5097 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1888 0.1888
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0756 0.5572
Schistosoma mansoni hypothetical protein 0.0165 0.3474 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0448 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0124 0.256 0.7369
Brugia malayi hypothetical protein 0.0025 0.0305 0.0549
Echinococcus granulosus geminin 0.0165 0.3474 0.3474
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.1344 0.2495
Schistosoma mansoni chromobox protein 0.0012 0.0012 0.0035
Schistosoma mansoni hypothetical protein 0.0031 0.0448 0.1289
Toxoplasma gondii ABC1 family protein 0.0071 0.1347 1
Leishmania major hypothetical protein, conserved 0.0071 0.1347 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0012 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1888 0.1888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1888 0.5434
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0305 0.2197
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1952 0.3633
Loa Loa (eye worm) hypothetical protein 0.0025 0.0305 0.0549
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0644 0.1243
Mycobacterium leprae Probable lipase LipE 0.0071 0.1347 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0425 0.0425
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0181 0.3846 0.3846
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.256 0.4772
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0448 0.0816
Onchocerca volvulus 0.0071 0.1347 0.2624
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.141 0.141
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.256 0.4772
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0012 0.0012
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1347 0.2624
Onchocerca volvulus 0.0012 0.0012 0.000000055492
Schistosoma mansoni tar DNA-binding protein 0.0124 0.256 0.7369
Onchocerca volvulus 0.0071 0.1347 0.2624
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0686 0.1974
Loa Loa (eye worm) acetyltransferase 0.0151 0.3166 0.5908
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0451 0.9941 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.04 0.04
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.1347 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1347 0.2624
Onchocerca volvulus 0.0237 0.5097 1
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0012 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0425 0.1224
Brugia malayi Pre-SET motif family protein 0.003 0.0425 0.0774
Loa Loa (eye worm) hypothetical protein 0.0176 0.3718 0.6943
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1888 0.1888
Schistosoma mansoni hypothetical protein 0.0067 0.1256 0.3615
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0448 0.0816
Echinococcus multilocularis GPCR, family 2 0.0031 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.307 0.307
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0012 0.0012
Brugia malayi beta-lactamase 0.0071 0.1347 0.2499
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1888 0.5434
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0012 0.0035
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.141 0.141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1888 0.5434
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0712 0.1376
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1347 0.3876
Loa Loa (eye worm) TAR-binding protein 0.0124 0.256 0.4772
Brugia malayi chromobox protein homolog 3 0.004 0.0644 0.1184
Mycobacterium ulcerans lipase LipD 0.0071 0.1347 0.5
Onchocerca volvulus 0.0071 0.1347 0.2624
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0425 0.1224
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.1347 0.1347
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.2709 0.2709
Echinococcus multilocularis chromobox protein 1 0.007 0.1344 0.1344
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0672 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0073 0.141 0.406
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0672 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0151 0.3166 0.9114
Schistosoma mansoni chromobox protein 0.007 0.1344 0.3869
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.3718 0.7289
Brugia malayi Pre-SET motif family protein 0.0208 0.4448 0.8309
Echinococcus granulosus tar DNA binding protein 0.0124 0.256 0.256
Mycobacterium ulcerans beta-lactamase 0.0071 0.1347 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.1347 0.2499
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0305 0.4442
Entamoeba histolytica hypothetical protein 0.0073 0.141 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0644 0.1184
Loa Loa (eye worm) hypothetical protein 0.0031 0.0451 0.0823
Onchocerca volvulus 0.0041 0.0686 0.1325
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.1347 0.1347
Brugia malayi hypothetical protein 0.0073 0.141 0.2619
Echinococcus multilocularis neuropeptide receptor A26 0.0454 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0756 0.1462
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0756 0.1462
Brugia malayi beta-lactamase family protein 0.0071 0.1347 0.2499
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0012 0.0012
Echinococcus granulosus neuropeptide receptor A26 0.0454 1 1
Echinococcus granulosus GPCR family 2 0.0031 0.0448 0.0448
Trichomonas vaginalis chromobox protein, putative 0.007 0.1344 0.2619
Brugia malayi acetyltransferase, GNAT family protein 0.0151 0.3166 0.5908
Schistosoma mansoni hypothetical protein 0.0031 0.0448 0.1289
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0305 0.4442
Echinococcus multilocularis Chromo domain 0.0012 0.0012 0.0012
Mycobacterium leprae conserved hypothetical protein 0.0071 0.1347 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.1347 0.5
Trichomonas vaginalis chromobox protein, putative 0.007 0.1344 0.2619
Entamoeba histolytica hypothetical protein 0.0073 0.141 1
Echinococcus multilocularis neuropeptide s receptor 0.0454 1 1
Echinococcus granulosus chromobox protein 2 0.0012 0.0012 0.0012
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0151 0.3166 0.3166
Loa Loa (eye worm) hypothetical protein 0.0031 0.0448 0.0816
Mycobacterium ulcerans hypothetical protein 0.0071 0.1347 0.5
Brugia malayi Heterochromatin protein 1 0.007 0.1344 0.2495
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0181 0.3846 0.3846
Schistosoma mansoni chromobox protein 0.0012 0.0012 0.0035
Loa Loa (eye worm) hypothetical protein 0.003 0.0425 0.0774
Loa Loa (eye worm) RNA binding protein 0.0124 0.256 0.4772
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.2709 0.2709
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2946 0.8481
Echinococcus granulosus Chromobox protein 3 0.0012 0.0012 0.0012
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.141 0.406
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0425 0.0425
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.4448 0.8309
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1347 1
Schistosoma mansoni hypothetical protein 0.0165 0.3474 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.256 0.7369
Loa Loa (eye worm) hypothetical protein 0.0067 0.1256 0.2329
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1347 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1347 0.2624
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1888 0.3513
Loa Loa (eye worm) beta-lactamase 0.0071 0.1347 0.2499
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0384 0.073
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0672 0.472
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1347 0.2624
Schistosoma mansoni chromobox protein 0.007 0.1344 0.3869
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0756 0.5572
Loa Loa (eye worm) hypothetical protein 0.0071 0.1347 0.2499
Echinococcus multilocularis geminin 0.0165 0.3474 0.3474
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0384 0.073
Schistosoma mansoni hypothetical protein 0.0012 0.0012 0.0035
Trichomonas vaginalis esterase, putative 0.0071 0.1347 0.2624
Entamoeba histolytica hypothetical protein 0.0073 0.141 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0448 0.0448
Plasmodium vivax SET domain protein, putative 0.003 0.0425 0.3095
Schistosoma mansoni tar DNA-binding protein 0.0124 0.256 0.7369
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.1347 0.2499
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0425 0.0425
Echinococcus multilocularis chromobox protein 2 0.0012 0.0012 0.0012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0425 0.1224
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0012 0.0035
Entamoeba histolytica hypothetical protein 0.0073 0.141 1
Echinococcus multilocularis tar DNA binding protein 0.0124 0.256 0.256
Brugia malayi hypothetical protein 0.0016 0.0109 0.0181
Brugia malayi beta-lactamase family protein 0.0071 0.1347 0.2499
Schistosoma mansoni hypothetical protein 0.0031 0.0448 0.1289
Plasmodium vivax hypothetical protein, conserved 0.0071 0.1347 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1888 0.3513
Brugia malayi N-terminal motif family protein 0.0176 0.3718 0.6943
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0756 0.0756
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0756 0.5572
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1888 0.1888
Echinococcus granulosus Chromo domain 0.0012 0.0012 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0248 0.535 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0012 0.0012
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1256 0.2329

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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