Detailed information for compound 1863089

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.544 | Formula: C23H35N3O
  • H donors: 2 H acceptors: 1 LogP: 4.06 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN(C(=O)[C@H](CCCCN)N)Cc1cccc2c1cccc2
  • InChi: 1S/C23H35N3O/c1-2-3-4-9-17-26(23(27)22(25)15-7-8-16-24)18-20-13-10-12-19-11-5-6-14-21(19)20/h5-6,10-14,22H,2-4,7-9,15-18,24-25H2,1H3/t22-/m0/s1
  • InChiKey: SZFYHQIXLKBEQD-QFIPXVFZSA-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 histone-lysine n-methyltransferase setb1 0.0097 0.0207 0.0558
Loa Loa (eye worm) glutaminase 2 0.0253 0.0756 0.3336
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0097 0.0207 0.3569
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.037 0.6377
Schistosoma mansoni amine oxidase 0.0203 0.058 0.1624
Schistosoma mansoni hypothetical protein 0.0122 0.0297 0.0815
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.0423 0.7289
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.0423 0.1175
Schistosoma mansoni hypothetical protein 0.008 0.0147 0.0388
Brugia malayi hypothetical protein 0.008 0.0147 0.0657
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0122 0.0297 0.5117
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0179 0.0478
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0033 0.0576
Entamoeba histolytica hypothetical protein 0.008 0.0147 0.3232
Mycobacterium ulcerans replicative DNA helicase DnaB 0.1035 0.351 0.3111
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.0147 0.2541
Schistosoma mansoni hypothetical protein 0.0191 0.054 0.1509
Echinococcus multilocularis geminin 0.0191 0.054 0.9307
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0203 0.058 1
Brugia malayi hypothetical protein 0.0203 0.058 0.2587
Echinococcus granulosus geminin 0.0191 0.054 0.9307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0203 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.0796 0.3519
Echinococcus multilocularis protoporphyrinogen oxidase 0.0203 0.058 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0386 0.1227 0.5473
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0203 0.058 0.1161
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2878 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0203 0.058 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0158 0.0422 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0386 0.1227 0.5473
Plasmodium vivax hypothetical protein, conserved 0.0203 0.058 1
Loa Loa (eye worm) twinkle helicase 0.0296 0.0907 0.4017
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.037 0.165
Loa Loa (eye worm) hypothetical protein 0.0386 0.1227 0.545
Echinococcus multilocularis 0.0203 0.058 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0158 0.0422 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0072 0.0271
Brugia malayi jmjC domain containing protein 0.0041 0.0012 0.0052
Trichomonas vaginalis glutaminase, putative 0.0253 0.0756 0.2857
Schistosoma mansoni Replicative DNA helicase 0.1035 0.351 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0386 0.1227 0.545
Trypanosoma cruzi UDP-galactopyranose mutase 0.0203 0.058 0.5
Schistosoma mansoni hypothetical protein 0.0264 0.0796 0.2243
Brugia malayi Latrophilin receptor protein 2 0.0122 0.0297 0.1324
Loa Loa (eye worm) hypothetical protein 0.0097 0.0207 0.0876
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.0147 0.2541
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.1035 0.351 0.3366
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2675 0.9286 1
Schistosoma mansoni amine oxidase 0.0203 0.058 0.1624
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.1035 0.351 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0207 0.0558
Echinococcus granulosus histone lysine methyltransferase setb 0.0097 0.0207 0.3569
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0033 0.0576
Schistosoma mansoni hypothetical protein 0.0122 0.0297 0.0815
Treponema pallidum replicative DNA helicase (dnaB) 0.1035 0.351 1
Brugia malayi Pre-SET motif family protein 0.0675 0.2242 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0203 0.058 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0203 0.058 1
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.1035 0.351 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.037 0.1024
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0122 0.0297 0.1324
Schistosoma mansoni hypothetical protein 0.0191 0.054 0.1509
Plasmodium vivax hypothetical protein, conserved 0.0203 0.058 1
Schistosoma mansoni glutaminase 0.0253 0.0756 0.2126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.037 0.1024
Toxoplasma gondii cytochrome p450 superfamily protein 0.1392 0.4766 1
Brugia malayi latrophilin 2 splice variant baaae 0.0264 0.0796 0.3553
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.037 0.6377
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Plasmodium vivax SET domain protein, putative 0.0097 0.0207 0.3219
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0203 0.058 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0207 0.0558
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0203 0.058 0.1624
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.073 0.2436 0.2132
Schistosoma mansoni hypothetical protein 0.0122 0.0297 0.0815
Brugia malayi glutaminase DH11.1 0.0253 0.0756 0.3371
Loa Loa (eye worm) hypothetical protein 0.0122 0.0297 0.1279
Entamoeba histolytica hypothetical protein 0.008 0.0147 0.3232
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.0423 0.1886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.037 0.1024
Schistosoma mansoni hypothetical protein 0.0122 0.0297 0.0815
Onchocerca volvulus 0.0768 0.257 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0203 0.058 0.1624
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0097 0.0207 0.0374
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.037 0.1606
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.073 0.2436 0.1971
Entamoeba histolytica hypothetical protein 0.008 0.0147 0.3232
Loa Loa (eye worm) latrophilin receptor protein 2 0.0122 0.0297 0.1279
Brugia malayi SWIRM domain containing protein 0.0203 0.058 0.2587
Brugia malayi Pre-SET motif family protein 0.0097 0.0207 0.0923
Trichomonas vaginalis set domain proteins, putative 0.0768 0.257 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0114 0.046
Echinococcus granulosus GPCR family 2 0.0122 0.0297 0.5117
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0093 0.0194 0.3353
Schistosoma mansoni transcription factor LCR-F1 0.008 0.0147 0.0388
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0097 0.0207 0.0558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.037 0.6377
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0203 0.058 1
Loa Loa (eye worm) glutaminase 0.0253 0.0756 0.3336
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0158 0.0422 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Toxoplasma gondii histone lysine-specific demethylase 0.0203 0.058 0.1161
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0122 0.0297 0.5117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0122 0.0297 0.5117
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0675 0.2242 1
Echinococcus multilocularis GPCR, family 2 0.0122 0.0297 0.5117
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0122 0.0297 0.5117
Chlamydia trachomatis replicative DNA helicase 0.1035 0.351 1
Leishmania major UDP-galactopyranose mutase 0.0203 0.058 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.0407 0.702
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0012 0.0201
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.026 0.4477
Plasmodium falciparum protoporphyrinogen oxidase 0.0203 0.058 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Onchocerca volvulus 0.0203 0.058 0.1578
Brugia malayi amine oxidase, flavin-containing family protein 0.0203 0.058 0.2587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Trypanosoma cruzi UDP-galactopyranose mutase 0.0203 0.058 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0097 0.0207 0.3569
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.073 0.2436 0.6335
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.003 0.0516
Brugia malayi jmjC domain containing protein 0.0112 0.026 0.1158
Mycobacterium ulcerans glutaminase 0.0253 0.0756 0.0186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.037 0.6377
Loa Loa (eye worm) hypothetical protein 0.0203 0.058 0.2548
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0158 0.0422 0.1544
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0012 0.0201
Entamoeba histolytica hypothetical protein 0.008 0.0147 0.3232
Loa Loa (eye worm) acetyltransferase 0.0158 0.0423 0.1843
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.026 0.4477

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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