Detailed information for compound 1155797

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.449 | Formula: C20H28N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)COCCN2CC1CC1)Cc1ccccc1
  • InChi: 1S/C20H28N2O2/c23-19(14-17-4-2-1-3-5-17)21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-6-7-18/h1-5,18H,6-16H2
  • InChiKey: DCQOMABTWSXXIP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.179 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0347
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3261 0.3261
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1413 0.4334
Schistosoma mansoni hypothetical protein 0.0067 0.0784 0.0784
Brugia malayi Muscleblind-like protein 0.0148 0.2437 0.7472
Loa Loa (eye worm) hypothetical protein 0.0049 0.0411 0.126
Toxoplasma gondii thioredoxin reductase 0.0046 0.0358 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0054 0.0054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0054 0.0166
Mycobacterium tuberculosis Probable reductase 0.0105 0.1552 0.8342
Loa Loa (eye worm) hypothetical protein 0.0067 0.0784 0.2405
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0054 0.0054
Onchocerca volvulus Alhambra homolog 0.0028 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3261 0.3261
Echinococcus multilocularis geminin 0.0521 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.179 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0121 0.0121
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1552 0.8342
Leishmania major trypanothione reductase 0.0046 0.0358 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1413 0.4334
Brugia malayi RNA binding protein 0.0189 0.3261 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0347 0.1065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0347 0.0347
Trypanosoma brucei trypanothione reductase 0.0046 0.0358 0.5
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0921 0.0921
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0031 0.0054 0.0166
Loa Loa (eye worm) RNA binding protein 0.0189 0.3261 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.179 1
Echinococcus multilocularis muscleblind protein 0.0148 0.2437 0.2437
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0054 0.0054
Echinococcus multilocularis tar DNA binding protein 0.0189 0.3261 0.3261
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1552 0.8342
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0358 1
Schistosoma mansoni hypothetical protein 0.0031 0.0054 0.0054
Echinococcus granulosus GPCR family 2 0.0031 0.0054 0.0054
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1552 0.8342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0347
Schistosoma mansoni hypothetical protein 0.0031 0.0054 0.0054
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0225 0.0225
Brugia malayi jmjC domain containing protein 0.0093 0.1308 0.4012
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.3261 1
Plasmodium falciparum glutathione reductase 0.0046 0.0358 1
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3261 0.3261
Giardia lamblia PHD finger protein 15 0.0028 0 0.5
Echinococcus multilocularis muscleblind protein 1 0.0148 0.2437 0.2437
Schistosoma mansoni hypothetical protein 0.0031 0.0054 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0054 0.0166
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0358 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1832 0.5618
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0054 0.0054
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1552 0.8342
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0121 0.0371
Loa Loa (eye worm) hypothetical protein 0.0148 0.2437 0.7472
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3261 0.3261
Schistosoma mansoni hypothetical protein 0.0031 0.0054 0.0054
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1308 0.1308
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0358 0.1097
Loa Loa (eye worm) TAR-binding protein 0.0189 0.3261 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0612 0.1878
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0225 0.0225
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0784 0.2405
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.3261 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2437 0.7472
Brugia malayi MH2 domain containing protein 0.0119 0.1832 0.5618
Schistosoma mansoni hypothetical protein 0.0521 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1832 0.5618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0347 0.0347
Loa Loa (eye worm) glutathione reductase 0.0046 0.0358 0.1097
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0358 0.0358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0347 0.1065
Loa Loa (eye worm) hypothetical protein 0.0098 0.1413 0.4334
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1552 0.8342
Echinococcus granulosus tar DNA binding protein 0.0189 0.3261 0.3261
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.179 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1308 0.1308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0347 0.0347
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3261 0.3261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0347
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0121 0.0121
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0358 0.0358
Brugia malayi glutathione reductase 0.0046 0.0358 0.1097
Echinococcus multilocularis GPCR, family 2 0.0031 0.0054 0.0054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0347 0.0347
Brugia malayi jmjC domain containing protein 0.0034 0.0121 0.0371
Brugia malayi TAR-binding protein 0.0189 0.3261 1
Brugia malayi Thioredoxin reductase 0.0046 0.0358 0.1097
Plasmodium falciparum thioredoxin reductase 0.0046 0.0358 1
Schistosoma mansoni hypothetical protein 0.0521 1 1
Echinococcus granulosus muscleblind protein 0.0148 0.2437 0.2437
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0054 0.0166
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.1413 0.4334
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0121 0.0121
Plasmodium vivax glutathione reductase, putative 0.0046 0.0358 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.