Detailed information for compound 1518629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.56 | Formula: C26H34N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCC(C)C(NC(=O)CCCC(C(N1)c1ccccc1)C)c1ccccc1
  • InChi: 1S/C26H34N2O2/c1-19-11-9-17-24(30)28-26(22-15-7-4-8-16-22)20(2)12-10-18-23(29)27-25(19)21-13-5-3-6-14-21/h3-8,13-16,19-20,25-26H,9-12,17-18H2,1-2H3,(H,27,29)(H,28,30)
  • InChiKey: VXISWQYLXNBKND-UHFFFAOYSA-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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.174 0.5788
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.1256 0.2526
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0691 0.1404
Echinococcus multilocularis zinc finger protein 0.0019 0.0074 0.0151
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0017 0.0035
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0691 0.5501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.174 0.3535
Mycobacterium ulcerans lipase LipD 0.0071 0.1256 1
Schistosoma mansoni hypothetical protein 0.0047 0.0712 0.2369
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.2315 0.2315
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.174 0.3535
Plasmodium falciparum glutathione reductase 0.0046 0.0691 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1256 1
Leishmania major pteridine reductase 1 0.0199 0.4204 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.1256 0.2552
Entamoeba histolytica hypothetical protein 0.0035 0.0448 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.1256 0.3031
Trichomonas vaginalis esterase, putative 0.0071 0.1256 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0691 0.1373
Onchocerca volvulus 0.0071 0.1256 1
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.1256 0.1256
Echinococcus granulosus survival motor neuron protein 1 0.023 0.4922 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.174 0.3535
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1256 1
Leishmania major trypanothione reductase 0.0046 0.0691 0.1644
Brugia malayi hypothetical protein 0.023 0.4922 1
Brugia malayi beta-lactamase 0.0071 0.1256 0.2552
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.2315 0.2315
Loa Loa (eye worm) hypothetical protein 0.023 0.4922 1
Echinococcus granulosus zinc finger protein 0.0019 0.0074 0.0151
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.2315 0.2315
Entamoeba histolytica hypothetical protein 0.0035 0.0448 0.5
Schistosoma mansoni zinc finger protein 0.0019 0.0074 0.0247
Treponema pallidum NADH oxidase 0.0016 0 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.2046 0.2046
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0031 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1256 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0977 0.1986
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0017 0.0058
Entamoeba histolytica hypothetical protein 0.0035 0.0448 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1256 1
Schistosoma mansoni hypothetical protein 0.002 0.0098 0.0326
Brugia malayi glutathione reductase 0.0046 0.0691 0.1404
Loa Loa (eye worm) beta-lactamase 0.0071 0.1256 0.2526
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0098 0.0164
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.1256 0.1256
Schistosoma mansoni bromodomain containing protein 0.0062 0.1058 0.3519
Loa Loa (eye worm) hypothetical protein 0.004 0.055 0.1087
Mycobacterium tuberculosis Conserved protein 0.0071 0.1256 0.1256
Mycobacterium ulcerans hypothetical protein 0.0071 0.1256 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.174 0.3512
Mycobacterium ulcerans beta-lactamase 0.0071 0.1256 1
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.1256 0.1256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.174 0.3535
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.4922 1
Plasmodium vivax hypothetical protein, conserved 0.0071 0.1256 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.174 0.5788
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.174 0.3535
Mycobacterium tuberculosis Conserved protein 0.0071 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Brugia malayi beta-lactamase family protein 0.0071 0.1256 0.2552
Trypanosoma brucei pteridine reductase 1 0.0196 0.4144 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0017 0.0058
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.1256 0.1256
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0017 0.0058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1256 0.4179
Brugia malayi beta-lactamase family protein 0.0071 0.1256 0.2552
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1256 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0442 0.0899
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.2315 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.2046 0.2046
Loa Loa (eye worm) hypothetical protein 0.0038 0.0497 0.0978
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0442 0.0899
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1256 1
Brugia malayi Thioredoxin reductase 0.0046 0.0691 0.1404
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.1256 1
Onchocerca volvulus 0.0071 0.1256 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.1256 0.1256
Toxoplasma gondii thioredoxin reductase 0.0046 0.0691 0.5501
Entamoeba histolytica hypothetical protein 0.0035 0.0448 0.5
Schistosoma mansoni survival motor neuron protein 0.0047 0.0712 0.2369
Trypanosoma brucei trypanothione reductase 0.0046 0.0691 0.1668
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1256 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.1256 0.1256
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0977 0.1986
Brugia malayi hypothetical protein 0.0035 0.0448 0.0909
Onchocerca volvulus 0.0071 0.1256 1
Toxoplasma gondii ABC1 family protein 0.0071 0.1256 1
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.1256 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0141 0.0469
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.2046 0.2046
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1256 0.4179
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0448 0.0909
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.1256 0.2552
Brugia malayi PHD-finger family protein 0.0024 0.0194 0.0395
Brugia malayi Bromodomain containing protein 0.0038 0.0496 0.1007
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0017 0.0035
Loa Loa (eye worm) hypothetical protein 0.0042 0.0593 0.1175
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.2046 0.2046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.174 0.5788
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0691 0.1404
Plasmodium vivax glutathione reductase, putative 0.0046 0.0691 0.5501
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.2046 0.7458
Plasmodium falciparum thioredoxin reductase 0.0046 0.0691 1
Leishmania major hypothetical protein, conserved 0.0071 0.1256 0.2988
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0448 0.0909
Loa Loa (eye worm) hypothetical protein 0.0069 0.1225 0.2463
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.1256 0.2552
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0141 0.0286
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0017 0.0058
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.2046 0.2046
Schistosoma mansoni hypothetical protein 0.0035 0.0448 0.1489
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0017 0.0035
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0448 0.1489
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0712 0.1447
Brugia malayi Bromodomain containing protein 0.0073 0.1322 0.2685
Loa Loa (eye worm) glutathione reductase 0.0046 0.0691 0.1373
Loa Loa (eye worm) hypothetical protein 0.0071 0.1256 0.2526
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0691 0.0691
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0141 0.0286
Mycobacterium tuberculosis Probable reductase 0.0105 0.2046 0.2046
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0017 0.0035
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.1256 0.1256
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0691 0.5501

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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